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A-966492

CAT: 0931-T6366-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6366-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
934162-61-5
Target
PARP
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9927
Bioactivity
A-96649 is a new-type and effective inhibitor. The Ki of A-966492 for PARP1 and PARP2 is 1 nM and 1.5 nM, respectively.
Smiles
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1
Molecular Formula
C18H17FN4O
Molecular Weight
324.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
CAS Number934162-61-5
PubChem CID16666333
IUPAC Name2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
Molecular FormulaC18H17FN4O
Molecular Weight324.4
XLogP2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity476
SMILES
C1C[C@H](NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
InChI
InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
InChIKey
AHIVQGOUBLVTCB-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
CAS: 934162-61-5
CID: 16666333
Formula: C18H17FN4O
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.13863934
Monoisotopic Mass324.13863934
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity476
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
HY-10614-01A-966492
FA100934-01A 966492

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