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A-966492

CAS No.:
934162-61-5
Catalog Number:
AG00GU0I
Molecular Formula:
C18H17FN4O
Molecular Weight:
324.3522
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$232
- +
10mg
99%
1 week
United States
$373
- +
50mg
99%
1 week
United States
$1040
- +
Product Description
Catalog Number:
AG00GU0I
Chemical Name:
A-966492
CAS Number:
934162-61-5
Molecular Formula:
C18H17FN4O
Molecular Weight:
324.3522
MDL Number:
MFCD17215207
IUPAC Name:
2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
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
InChI Key:
AHIVQGOUBLVTCB-AWEZNQCLSA-N
SMILES:
Fc1cc(ccc1c1nc2c([nH]1)cccc2C(=O)N)C1CCCN1
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
324.139g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
324.359g/mol
Monoisotopic Mass:
324.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. Journal of medicinal chemistry 20100422
Properties