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Gsk-5959

CAS No.:
901245-65-6
Catalog Number:
AG00GU8K
Molecular Formula:
C22H26N4O3
Molecular Weight:
394.4668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$140
- +
10mg
98%
1 week
United States
$196
- +
50mg
98%
1 week
United States
$460
- +
Product Description
Catalog Number:
AG00GU8K
Chemical Name:
Gsk-5959
CAS Number:
901245-65-6
Molecular Formula:
C22H26N4O3
Molecular Weight:
394.4668
MDL Number:
MFCD14744183
IUPAC Name:
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
InChI:
InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
InChI Key:
LTUGYAOMCKNTGG-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.2g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.475g/mol
Monoisotopic Mass:
394.2g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain. ACS medicinal chemistry letters 20141113
Properties