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BRD-9539

CAS No.:
1374601-41-8
Catalog Number:
AG009C9X
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$110
- +
5mg
≥98%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$257
- +
25mg
99%
1 week
United States
$490
- +
50mg
99%
1 week
United States
$823
- +
Product Description
Catalog Number:
AG009C9X
Chemical Name:
BRD-9539
CAS Number:
1374601-41-8
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
MDL Number:
MFCD23704793
IUPAC Name:
2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)
InChI Key:
WPXMEOBILYVKBC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O
Properties
Complexity:
586  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.158g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
399.45g/mol
Monoisotopic Mass:
399.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
A small-molecule probe of the histone methyltransferase G9a induces cellular senescence in pancreatic adenocarcinoma. ACS chemical biology 20120720
Properties