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Indibulin

CAT: 0607-BA2973-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2973-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204205-90-3
Form
A solid
Molecular Formula
C22H16ClN3O2
Molecular Weight
389.83
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

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. This agent has been shown to be active against multidrug-resistant (MDR) and taxane- resistant tumor cell lines.

CAS Number204205-90-3
PubChem CID2929
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
Molecular FormulaC22H16ClN3O2
Molecular Weight389.8
XLogP3.9
Topological Polar Surface Area64
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity558
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4
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)
InChIKey
SOLIIYNRSAWTSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indibulin
CAS: 204205-90-3
CID: 2929
Formula: C22H16ClN3O2
MW: 389.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.8
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass389.0931045
Monoisotopic Mass389.0931045
Topological Polar Surface Area64 Ų
Heavy Atom Count28
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes