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Screening compounds

Isa-2011B

Also known as (2S,8S)-2-(5-Chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione, C22H18ClN3O4, (5S,10aS)-5-(5-chloro-1H-indol-3-yl)-9-methyl-8,9,10a,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrazino[1,2-b]isoquinoline-7,10-dione

CAS 1395347-24-6Formula C22H18ClN3O4Molar mass 423.86 g/mol
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Isa-2011B chemical structure, C22H18ClN3O4, CAS 1395347-24-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1395347-24-6
Formula
C22H18ClN3O4
Molar mass
423.86 g/mol
HS code
293499
Category
Screening compounds

What is Isa-2011B?

Plain description, key identifiers and synonyms

Isa-2011B is a chemical substance with the molecular formula C22H18ClN3O4 and a molar mass of 423.86 g/mol. Its CAS registry number is 1395347-24-6. The IUPAC name is (2S,8S)-2-(5-chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,8S)-2-(5-chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione
CAS number
1395347-24-6
Molecular formula
C22H18ClN3O4
MDL number
MFCD30533398
InChIKey
FSEZESVJDPKRDS-UWJYYQICSA-N
InChI
InChI=1S/C22H18ClN3O4/c1-25-9-20(27)26-17(22(25)28)4-11-5-18-19(30-10-29-18)7-13(11)21(26)15-8-24-16-3-2-12(23)6-14(15)16/h2-3,5-8,17,21,24H,4,9-10H2,1H3/t17-,21-/m0/s1
Canonical SMILES
CN1CC(=O)N2C(Cc3cc4c(cc3C2c2c[nH]c3ccc(Cl)cc23)OCO4)C1=O
Isomeric SMILES
CN1CC(=O)N2[C@H](C1=O)CC3=CC4=C(C=C3[C@H]2C5=CNC6=C5C=C(C=C6)Cl)OCO4

Synonyms

  • (2S,8S)-2-(5-Chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione
  • C22H18ClN3O4
  • (5S,10aS)-5-(5-chloro-1H-indol-3-yl)-9-methyl-8,9,10a,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrazino[1,2-b]isoquinoline-7,10-dione

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
423.86 g/molcalc.
Exact mass
423.0986 Dacalc.
LogP (octanol/water)
2.86calc.
Topological polar surface area
74.87 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
2calc.
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

Murcko scaffold of this chemical, O=C1NCC(=O)N2C1Cc1cc3c(cc1C2c1c[nH]c2ccccc12)OCO3

O=C1NCC(=O)N2C1Cc1cc3c(cc1C2c1c[nH]c2ccccc12)OCO3

6 rings, 28 atoms.

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.

Isa-2011B suppliers

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Isa-2011B price

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Uses and applications

What the substance is used for, by industry and function

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 Isa-2011B 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
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isa-2011B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isa-2011B, based on the data on this page

What is Isa-2011B?

Isa-2011B is a chemical substance with the molecular formula C22H18ClN3O4 and a molar mass of 423.86 g/mol. Its CAS registry number is 1395347-24-6. The IUPAC name is (2S,8S)-2-(5-chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione.

What is the CAS number of Isa-2011B?

The CAS registry number of Isa-2011B is 1395347-24-6.

What is the molecular formula and weight of Isa-2011B?

The molecular formula of Isa-2011B is C22H18ClN3O4 and its molar mass is 423.86 g/mol.

What is Isa-2011B used for?

Known uses and roles of Isa-2011B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isa-2011B hazardous?

No GHS hazard classification for Isa-2011B 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 Isa-2011B?

Isa-2011B 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 Isa-2011B?

Post a free request on CompoundList and suppliers of Isa-2011B will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isa-2011B?

Suppliers quote Isa-2011B 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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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