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Of-1

CAS No.:
919973-83-4
Catalog Number:
AG00GTC0
Molecular Formula:
C17H18BrN3O4S
Molecular Weight:
440.3115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$108
- +
5mg
≥98%
1 week
United States
$160
- +
10mg
≥98%
1 week
United States
$237
- +
25mg
≥98%
1 week
United States
$443
- +
Product Description
Catalog Number:
AG00GTC0
Chemical Name:
Of-1
CAS Number:
919973-83-4
Molecular Formula:
C17H18BrN3O4S
Molecular Weight:
440.3115
MDL Number:
MFCD26964046
IUPAC Name:
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
InChI:
InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
InChI Key:
YUNQZQREIHWDQT-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.02g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
440.312g/mol
Monoisotopic Mass:
439.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF. Journal of medicinal chemistry 20160225
Properties