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Veliparib

CAT: 0127-BUP15499-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15499-05Size:100 mg
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CAS Number
912444-00-9
Synonyms
ABT-888, NSC 737664
Purity
=98%
Smiles
C(N)(=O)C1=C2C(N=C(N2)[C@@]3(C)CCCN3)=CC=C1

Chemical Information

Veliparib

Veliparib is a benzimidazole substituted with a carbamoyl group at C-4 and a (2R)-2-methylpyrrolidin-2-yl moiety at C-2. It is a potent, orally bioavailable PARP inhibitor. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor.

CAS Number912444-00-9
PubChem CID11960529
IUPAC Name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
Molecular FormulaC13H16N4O
Molecular Weight244.29
XLogP0.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity348
SMILES
C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChI
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
InChIKey
JNAHVYVRKWKWKQ-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Veliparib
CAS: 912444-00-9
CID: 11960529
Formula: C13H16N4O
MW: 244.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.29
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass244.13241115
Monoisotopic Mass244.13241115
Topological Polar Surface Area83.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-394457AVeliparib
A3958-5Veliparib dihydrochloride
HY-10129R-01Veliparib (Standard)
HY-10130-01Veliparib (dihydrochloride)
bs-82486C-01Veliparib 2HCl
206768Veliparib hydrochloride

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