Autophagonizer (CAS 853136-76-2): price, suppliers and safety

What is Autophagonizer?

Plain description, key identifiers and synonyms

Autophagonizer is a chemical substance with the molecular formula C28H31N5O3S2 and a molar mass of 549.72 g/mol. Its CAS registry number is 853136-76-2. The IUPAC name is 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CAS number: 853136-76-2
Molecular formula: C₂₈H₃₁N₅O₃S₂
InChIKey: BCMZCPIZJPKEIR-UHFFFAOYSA-N
InChI: InChI=1S/C28H31N5O3S2/c34-25(29-12-15-32-13-6-7-14-32)21-17-36-23(30-21)18-37-28-31-26-24(20-10-4-5-11-22(20)38-26)27(35)33(28)16-19-8-2-1-3-9-19/h1-3,8-9,17H,4-7,10-16,18H2,(H,29,34)
SMILES (canonical and isomeric): C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=NC(=CO5)C(=O)NCCN6CCCC6

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	549.72 g/molcalc.
Exact mass	549.1868 Dacalc.
LogP (octanol/water)	4.49calc.
Topological polar surface area	93.26 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	9calc.
Heavy atoms	38calc.
Rings	6calc.
Aromatic rings	4calc.
Fraction sp3 carbons	0.43calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (1 violation)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(NCCN1CCCC1)c1coc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)n1

6 rings, 38 atoms. This chemical is the scaffold itself.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Autophagonizer suppliers

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Autophagonizer 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

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 Autophagonizer 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 Autophagonizer 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

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

3-Benzyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C23H25N3O2S2, CAS 496027-57-7

[(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid chemical structure, C19H18N2O3S2, CAS 331964-33-1

3-Benzyl-2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C24H22N2OS2, CAS 337350-11-5

2-[(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide chemical structure, C19H19N3O2S2, CAS 327170-81-0

3-Benzyl-2-[(2-oxopropyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H20N2O2S2, CAS 496027-62-4

3-Benzyl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C25H22N2O2S2, CAS 331964-41-1

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-(4-Benzyl-1-piperazinyl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1, 3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 361993-89-7

2-(4-Benzyl-1-piperazinyl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1, 3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one361993-89-7C₂₈H₃₁N₅O₃S₂

N,N-Diethyl-3-{4-[4-oxo-2-piperidin-1-yl-4H-thiazol-(5Z)-ylidenemethyl]-1-phenyl-1H-pyrazol-3-yl}-benze nesulfonamide chemical structure, C28H31N5O3S2, CAS 958984-59-3

N,N-Diethyl-3-{4-[4-oxo-2-piperidin-1-yl-4H-thiazol-(5Z)-ylidenemethyl]-1-phenyl-1H-pyrazol-3-yl}-benze nesulfonamide958984-59-3C₂₈H₃₁N₅O₃S₂

9-Methyl-2-[(3-morpholin-4-ylpropyl)amino]-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 384352-81-2

9-Methyl-2-[(3-morpholin-4-ylpropyl)amino]-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one384352-81-2C₂₈H₃₁N₅O₃S₂

3-{(Z)-[3-(Butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 615272-10-1

3-{(Z)-[3-(Butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one615272-10-1C₂₈H₃₁N₅O₃S₂

3-[(Z)-(3-sec-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 615273-08-0

3-[(Z)-(3-sec-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one615273-08-0C₂₈H₃₁N₅O₃S₂

2-(4-Ethylpiperazin-1-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 615275-26-8

2-(4-Ethylpiperazin-1-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one615275-26-8C₂₈H₃₁N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 797772-82-8

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one797772-82-8C₂₈H₃₁N₅O₃S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 636991-17-8

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one636991-17-8C₂₈H₃₁N₅O₃S₂

2-[4-(2-Methoxyphenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 615272-14-5

2-[4-(2-Methoxyphenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one615272-14-5C₂₈H₃₁N₅O₃S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 615272-08-7

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one615272-08-7C₂₈H₃₁N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 797020-28-1

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one797020-28-1C₂₈H₃₁N₅O₃S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H31N5O3S2, CAS 638133-98-9

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one638133-98-9C₂₈H₃₁N₅O₃S₂

Frequently asked questions

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

What is Autophagonizer?

Autophagonizer is a chemical substance with the molecular formula C28H31N5O3S2 and a molar mass of 549.72 g/mol. Its CAS registry number is 853136-76-2. The IUPAC name is 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide.

What is the CAS number of Autophagonizer?

The CAS registry number of Autophagonizer is 853136-76-2.

What is the molecular formula and weight of Autophagonizer?

The molecular formula of Autophagonizer is C28H31N5O3S2 and its molar mass is 549.72 g/mol.

What is Autophagonizer used for?

Known uses and roles of Autophagonizer include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Autophagonizer hazardous?

No GHS hazard classification for Autophagonizer is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Autophagonizer?

Autophagonizer 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 Autophagonizer?

Post a free request on CompoundList and suppliers of Autophagonizer will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Autophagonizer?

Suppliers quote Autophagonizer 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 Autophagonizer

Autophagonizer

Key facts

What is Autophagonizer?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Autophagonizer suppliers

Autophagonizer price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Autophagonizer?

What is the CAS number of Autophagonizer?

What is the molecular formula and weight of Autophagonizer?

What is Autophagonizer used for?

Is Autophagonizer hazardous?

What is the HS code of Autophagonizer?

Where can I buy Autophagonizer?

What is the price of Autophagonizer?

Guides for buyers

Get quotes for Autophagonizer

Key facts

What is Autophagonizer?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Autophagonizer suppliers

Autophagonizer price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Autophagonizer?

What is the CAS number of Autophagonizer?

What is the molecular formula and weight of Autophagonizer?

What is Autophagonizer used for?

Is Autophagonizer hazardous?

What is the HS code of Autophagonizer?

Where can I buy Autophagonizer?

What is the price of Autophagonizer?

Guides for buyers

Get quotes for Autophagonizer