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Screening compounds

Israpafant

Also known as (R)-israpafant, (9R)-7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene, Israpafant (JAN/INN)

CAS 136624-40-3Formula C28H29ClN4SMolar mass 489.09 g/mol
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Israpafant chemical structure, C28H29ClN4S, CAS 136624-40-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
136624-40-3
Formula
C28H29ClN4S
Molar mass
489.09 g/mol
HS code
293499
Category
Screening compounds

What is Israpafant?

Plain description, key identifiers and synonyms

Israpafant is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(9R)-7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CAS number
136624-40-3
Molecular formula
C28H29ClN4S
InChIKey
RMSWMRJVUJSDGN-GOSISDBHSA-N
InChI
InChI=1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3/t18-/m1/s1
Canonical SMILES
Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C
Isomeric SMILES
C[C@@H]1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C

Synonyms

  • (R)-israpafant
  • (9R)-7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
  • Israpafant (JAN/INN)
  • 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4-(2-chlorophenyl)-6,9-dimethyl-2-[2-[4-(2-methylpropyl)phenyl]ethyl]-, (R)-

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
489.09 g/molcalc.
Exact mass
488.1801 Dacalc.
LogP (octanol/water)
7.19calc.
Topological polar surface area
43.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
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

Murcko scaffold of this chemical, c1ccc(CCc2cc3c(s2)-n2cnnc2CN=C3c2ccccc2)cc1

c1ccc(CCc2cc3c(s2)-n2cnnc2CN=C3c2ccccc2)cc1

5 rings, 27 atoms.

1 other chemical share 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.

Israpafant suppliers

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Israpafant 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

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 Israpafant 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 Israpafant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Israpafant?

Israpafant is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

What is the CAS number of Israpafant?

The CAS registry number of Israpafant is 136624-40-3.

What is the molecular formula and weight of Israpafant?

The molecular formula of Israpafant is C28H29ClN4S and its molar mass is 489.09 g/mol.

What is Israpafant used for?

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

Is Israpafant hazardous?

No GHS hazard classification for Israpafant 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 Israpafant?

Israpafant 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 Israpafant?

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

What is the price of Israpafant?

Suppliers quote Israpafant 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 Israpafant

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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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