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Screening compounds

Indibulin

Also known as Indibulina, Indibuline, 2-{1-[(4-Chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-(pyridin-4-yl)acetamide

CAS 204205-90-3Formula C22H16ClN3O2Molar mass 389.84 g/mol
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Indibulin chemical structure, C22H16ClN3O2, CAS 204205-90-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
204205-90-3
Formula
C22H16ClN3O2
Molar mass
389.84 g/mol
HS code
293339
Category
Screening compounds

What is Indibulin?

Plain description, key identifiers and synonyms

Indibulin is a synthetic small molecule with antimitotic and potential antineoplastic activities. Indibulin binds to a site on tubulin that is different from taxane- or Vinca alkaloid-binding sites, destabilizing tubulin polymerization and inducing tumor cell cycle arrest and apoptosis. This agent has been shown to be active against multidrug-resistant (MDR) and taxane- resistant tumor cell lines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CAS number
204205-90-3 CAS number cross-checked
Molecular formula
C22H16ClN3O2
UNII
80K4H2RB8P
MDL number
MFCD05861105
InChIKey
SOLIIYNRSAWTSQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4

Synonyms

  • Indibulina
  • Indibuline
  • 2-{1-[(4-Chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-(pyridin-4-yl)acetamide
  • indibulinum
  • 2-(1-((4-chlorophenyl)methyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide
  • N-(Pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glycoxylamide
  • n-(pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glyoxylamide
  • 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide
  • 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
  • ZIO 301, D 24851
  • 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-alpha-oxo-N-4-pyridinyl-
  • 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-(4-pyridyl)acetamide
  • C22H16ClN3O2
  • 2-{1-[(4-chlorophenyl)methyl]indol-3-yl}-2-oxo-N-(4-pyridyl)acetamide
  • 1H-Indole-3-acetamide, 1-((4-chlorophenyl)methyl)-alpha-oxo-N-4-pyridinyl-
  • 2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide
  • Indibulin (USAN/INN)
  • 2-[1-(4-Chlorobenzyl)-3-indolyl]-2-oxo-N-(4-pyridyl)acetamide
  • 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-|A-oxo-N-4-pyridinyl-
  • 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-alpha-oxo-N-(4-pyridinyl)-

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
389.84 g/molcalc.
Exact mass
389.0931 Dacalc.
LogP (octanol/water)
4.56calc.
Topological polar surface area
63.99 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.05calc.
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

Murcko scaffold of this chemical, O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

4 rings, 27 atoms.

4 other chemicals 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.

Indibulin suppliers

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Where suppliers are based

1 supplier in 1 country

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Indibulin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

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 Indibulin is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Indibulin?

Indibulin is a synthetic small molecule with antimitotic and potential antineoplastic activities. Indibulin binds to a site on tubulin that is different from taxane- or Vinca alkaloid-binding sites, destabilizing tubulin polymerization and inducing tumor cell cycle arrest and apoptosis.

What is the CAS number of Indibulin?

The CAS registry number of Indibulin is 204205-90-3.

What is the molecular formula and weight of Indibulin?

The molecular formula of Indibulin is C22H16ClN3O2 and its molar mass is 389.84 g/mol.

What is Indibulin used for?

Known uses and roles of Indibulin include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Indibulin hazardous?

No GHS hazard classification for Indibulin 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 Indibulin?

Indibulin is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Indibulin?

CompoundList lists 1 supplier of Indibulin in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Indibulin?

Suppliers quote Indibulin 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 Indibulin

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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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