Apafant (CAS 105219-56-5): price, suppliers and safety

What is Apafant?

Plain description, key identifiers and synonyms

LSM-2613 is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
CAS number: 105219-56-5 CAS number cross-checked
EC number: 692-443-7
Molecular formula: C₂₂H₂₂ClN₅O₂S
UNII: J613NI05SV
MDL number: MFCD00865271
InChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-N
InChI: InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
SMILES (canonical and isomeric): CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl

Synonyms

Web 2086
triazolodiazepine
Apafanto
Apafantum
WEB 2086BS
WEB 2086 BS
3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone
Apafantum (INN-Latin)
Apafanto (INN-Spanish)
Apafant (mart.)
Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
4-(2-Chlorophenyl)-9-methyl-2-(3-morpholino-3-oxopropyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
4-(2-Chlorophenyl)-9-methyl-2-(3-morpholino-3-oxopropyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
3-(4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-morpholinopropan-1-one
4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine
PDSP1_000669
[3H]apafant
C22H22ClN5O2S
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
4-[3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine, WEB 2086BS, WEB 2086,
[3H]WEB 2086
4-[3-[4-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine
Apafant(WEB 2086)
Apafant (JAN/USAN/INN)

Show all 28 synonyms

4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine
3-[7-(2-chlorophenyl)-13-met
PDSP2_000659

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	455.97 g/molcalc.
Exact mass	455.1183 Dacalc.
LogP (octanol/water)	3.43calc.
Topological polar surface area	72.61 Å²calc.
Hydrogen bond donors	0calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	4calc.
Heavy atoms	31calc.
Rings	5calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.36calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(CCc1cc2c(s1)-n1cnnc1CN=C2c1ccccc1)N1CCOCC1

5 rings, 29 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Serious health hazard

Hazard statements

H361Suspected of damaging fertility or the unborn child.

Precautionary statements (5)

P203Obtain, read and follow all safety instructions before use.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P318If exposed or concerned, get medical advice.
P405Store locked up.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Apafant suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 16 suppliers

Verified only16 of 16 offers

AChemBlock
United States, HaywardUnclaimed profile
ApafantGrade, purity and minimum order on request
Price on request
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Acmec Biochemical
China, ShanghaiUnclaimed profile
ApafantGrade, purity and minimum order on request
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AHH Chemical co.,ltd
China, ChangzhouUnclaimed profile
ApafantGrade, purity and minimum order on request
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AiFChem
United States, SomervilleUnclaimed profile
ApafantGrade, purity and minimum order on request
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Ambeed, Inc.
United States, Buffalo GroveUnclaimed profile
ApafantGrade, purity and minimum order on request
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BioAustralis Fine Chemicals
Australia, SmithfieldUnclaimed profile
ApafantGrade, purity and minimum order on request
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BioCrick
China, ChengduUnclaimed profile
ApafantGrade, purity and minimum order on request
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DC Chemicals
China, PudongUnclaimed profile
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Debye Scientific Co., Ltd.
Hong Kong, Hong KongUnclaimed profile
ApafantGrade, purity and minimum order on request
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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
ApafantGrade, purity and minimum order on request
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

16 suppliers in 4 countries

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Apafant price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacological actions

Fibrinolytic Agents
Platelet Aggregation Inhibitors

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Apafant is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

Reported customs values in USD, not prices.Full trade data

The HS code shown for Apafant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

Apafant-d8 chemical structure, C22H22ClN5O2S, CAS 1185101-22-7

Apafant-d81185101-22-7C₂₂H₂₂ClN₅O₂S

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Etizolam chemical structure, C17H15ClN4S, CAS 40054-69-1

66% similar

Etizolam40054-69-1C₁₇H₁₅ClN₄S

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-((5-(1H-Indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chlorobenzyl)acetamide chemical structure, C22H22ClN5O2S, CAS 852145-01-8

2-((5-(1H-Indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chlorobenzyl)acetamide852145-01-8C₂₂H₂₂ClN₅O₂S

N-(sec-Butyl)-1-[(4-chlorobenzyl)thio]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide chemical structure, C22H22ClN5O2S, CAS 1111221-86-3

N-(sec-Butyl)-1-[(4-chlorobenzyl)thio]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide1111221-86-3C₂₂H₂₂ClN₅O₂S

2-((7-Chloro-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)-N-(2-ethylphenyl)acetamide chemical structure, C22H22ClN5O2S, CAS 1111151-51-9

2-((7-Chloro-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)-N-(2-ethylphenyl)acetamide1111151-51-9C₂₂H₂₂ClN₅O₂S

2-((7-Chloro-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)-N-(2,4-dimethylphenyl)acetamide chemical structure, C22H22ClN5O2S, CAS 1111054-89-7

2-((7-Chloro-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)-N-(2,4-dimethylphenyl)acetamide1111054-89-7C₂₂H₂₂ClN₅O₂S

N-[1-(tert-Butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-chlorobenzenesulfonamide chemical structure, C22H22ClN5O2S, CAS 477867-68-8

N-[1-(tert-Butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-chlorobenzenesulfonamide477867-68-8C₂₂H₂₂ClN₅O₂S

2-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-1-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]-2-oxoethanone chemical structure, C22H22ClN5O2S, CAS 1113106-64-1

2-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-1-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]-2-oxoethanone1113106-64-1C₂₂H₂₂ClN₅O₂S

7-(4-Chlorophenyl)-2-(ethylthio)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide chemical structure, C22H22ClN5O2S, CAS 1021209-20-0

7-(4-Chlorophenyl)-2-(ethylthio)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide1021209-20-0C₂₂H₂₂ClN₅O₂S

3-(4-Chlorobenzenesulfonyl)-N-cycloheptyl-[1,2,3]triazolo[1,5-A]quinazolin-5-amine chemical structure, C22H22ClN5O2S, CAS 899217-63-1

3-(4-Chlorobenzenesulfonyl)-N-cycloheptyl-[1,2,3]triazolo[1,5-A]quinazolin-5-amine899217-63-1C₂₂H₂₂ClN₅O₂S

1-(4-(2-(4-(2-Chlorophenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)-3-phenylurea chemical structure, C22H22ClN5O2S, CAS 946373-90-6

1-(4-(2-(4-(2-Chlorophenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)-3-phenylurea946373-90-6C₂₂H₂₂ClN₅O₂S

1-[(4-Chlorophenyl)methyl]-3-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}urea chemical structure, C22H22ClN5O2S, CAS 1208741-52-9

1-[(4-Chlorophenyl)methyl]-3-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}urea1208741-52-9C₂₂H₂₂ClN₅O₂S

3-[1-(Benzylsulfanyl)-7-chloro-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide chemical structure, C22H22ClN5O2S, CAS 1112407-04-1

3-[1-(Benzylsulfanyl)-7-chloro-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide1112407-04-1C₂₂H₂₂ClN₅O₂S

5-((4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol chemical structure, C22H22ClN5O2S, CAS 868219-83-4

5-((4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol868219-83-4C₂₂H₂₂ClN₅O₂S

Frequently asked questions

Quick answers about Apafant, based on the data on this page

What is Apafant?

LSM-2613 is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

What is the CAS number of Apafant?

The CAS registry number of Apafant is 105219-56-5.

What is the molecular formula and weight of Apafant?

The molecular formula of Apafant is C22H22ClN5O2S and its molar mass is 455.97 g/mol.

What is Apafant used for?

Known uses and roles of Apafant include building blocks in research and laboratory, screening compounds in research and laboratory, fibrinolytic agents and platelet aggregation inhibitors.

Is Apafant hazardous?

Apafant carries the GHS signal word "Warning". Main hazards: suspected of damaging fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Apafant?

Apafant is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Apafant?

CompoundList lists 16 suppliers of Apafant in China, United States, Australia and Hong Kong. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Apafant?

Suppliers quote Apafant on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Apafant

Apafant

Key facts

What is Apafant?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Apafant suppliers

Where suppliers are based

Send one request to many suppliers

Apafant price

Uses and applications

Industries and functions

Pharmacological actions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Apafant?

What is the CAS number of Apafant?

What is the molecular formula and weight of Apafant?

What is Apafant used for?

Is Apafant hazardous?

What is the HS code of Apafant?

Where can I buy Apafant?

What is the price of Apafant?

Guides for buyers

Get quotes for Apafant

Key facts

What is Apafant?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Apafant suppliers

Where suppliers are based

Send one request to many suppliers

Apafant price

Uses and applications

Industries and functions

Pharmacological actions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Apafant?

What is the CAS number of Apafant?

What is the molecular formula and weight of Apafant?

What is Apafant used for?

Is Apafant hazardous?

What is the HS code of Apafant?

Where can I buy Apafant?

What is the price of Apafant?

Guides for buyers

Get quotes for Apafant