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ABT-888 (Veliparib)

CAT: 0607-A3002-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3002-10Size:10 mg
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Description
Potent PARP inhibitor
CAS Number
912444-00-9
Product Name Alternative
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Sequence
ABT-888,ABT 888,ABT888,Veliparib
Field of Research
Chromatin Epigenetics PARP DNA Damage DNA Repair PARP
Purity
0.9987
Form
A solid
Solubility
insoluble in H2O; ≥10.6 mg/mL in EtOH with ultrasonic; ≥6.11 mg/mL in DMSO
Smiles
CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
Molecular Formula
C13H16N4O
Molecular Weight
244.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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
Loading 3D structure...
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

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A4388-5XL-888
A4388-25XL-888
A4388-50XL-888
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