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Screening compounds

Orb1690926

Also known as 3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid, 3-(5-Chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-isopropyl-1H-pyrrole-2-carboxylic acid

CAS 2396639-11-3Formula C24H20ClN3O2Molar mass 417.90 g/mol
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Orb1690926 chemical structure, C24H20ClN3O2, CAS 2396639-11-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2396639-11-3
Formula
C24H20ClN3O2
Molar mass
417.90 g/mol
HS code
293399
Category
Screening compounds

What is Orb1690926?

Plain description, key identifiers and synonyms

Orb1690926 is a chemical substance with the molecular formula C24H20ClN3O2 and a molar mass of 417.90 g/mol. Its CAS registry number is 2396639-11-3. The IUPAC name is 3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CAS number
2396639-11-3
Molecular formula
C24H20ClN3O2
InChIKey
IUEFQUANJWCUNT-UHFFFAOYSA-N
InChI
InChI=1S/C24H20ClN3O2/c1-12(2)19-21(20-15-9-11-27-18(15)7-6-16(20)25)23(24(29)30)28-22(19)14-4-3-5-17-13(14)8-10-26-17/h3-12,26-28H,1-2H3,(H,29,30)
SMILES (canonical and isomeric)
CC(C)C1=C(NC(=C1C2=C(C=CC3=C2C=CN3)Cl)C(=O)O)C4=C5C=CNC5=CC=C4

Synonyms

  • 3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
  • 3-(5-Chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-isopropyl-1H-pyrrole-2-carboxylic acid

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
417.90 g/molcalc.
Exact mass
417.1244 Dacalc.
LogP (octanol/water)
6.79calc.
Topological polar surface area
84.67 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.13calc.
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

Murcko scaffold of this chemical, c1cc(-c2c[nH]c(-c3cccc4[nH]ccc34)c2)c2cc[nH]c2c1

c1cc(-c2c[nH]c(-c3cccc4[nH]ccc34)c2)c2cc[nH]c2c1

5 rings, 23 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.

Orb1690926 suppliers

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Orb1690926 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 Orb1690926 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1690926 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1690926, based on the data on this page

What is Orb1690926?

Orb1690926 is a chemical substance with the molecular formula C24H20ClN3O2 and a molar mass of 417.90 g/mol. Its CAS registry number is 2396639-11-3. The IUPAC name is 3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

What is the CAS number of Orb1690926?

The CAS registry number of Orb1690926 is 2396639-11-3.

What is the molecular formula and weight of Orb1690926?

The molecular formula of Orb1690926 is C24H20ClN3O2 and its molar mass is 417.90 g/mol.

What is Orb1690926 used for?

Known uses and roles of Orb1690926 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1690926 hazardous?

No GHS hazard classification for Orb1690926 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 Orb1690926?

Orb1690926 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1690926?

Post a free request on CompoundList and suppliers of Orb1690926 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1690926?

Suppliers quote Orb1690926 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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