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BRD7116

CAS No.:
329059-55-4
Catalog Number:
AG00C6IN
Molecular Formula:
C28H36N2O4S
Molecular Weight:
496.6614
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$140
- +
10mg
99%
1 week
United States
$182
- +
25mg
≥98%
1 week
United States
$447
- +
50mg
99%
1 week
United States
$543
- +
Product Description
Catalog Number:
AG00C6IN
Chemical Name:
BRD7116
CAS Number:
329059-55-4
Molecular Formula:
C28H36N2O4S
Molecular Weight:
496.6614
MDL Number:
MFCD02168947
IUPAC Name:
2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
InChI:
InChI=1S/C28H36N2O4S/c1-25(2)21(26(25,3)4)23(31)29-17-9-13-19(14-10-17)35(33,34)20-15-11-18(12-16-20)30-24(32)22-27(5,6)28(22,7)8/h9-16,21-22H,1-8H3,(H,29,31)(H,30,32)
InChI Key:
UHXFWAHRAMUDLJ-UHFFFAOYSA-N
SMILES:
O=C(C1C(C1(C)C)(C)C)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C1C(C1(C)C)(C)C
Properties
Complexity:
859  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.24g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
496.666g/mol
Monoisotopic Mass:
496.24g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Glutathione reductase from human erythrocytes. Molecular weight, subunit composition and aggregation properties. European journal of biochemistry 19751215
Properties