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GSK 2033

CAS No.:
1221277-90-2
Catalog Number:
AG00A1FS
Molecular Formula:
C29H28F3NO5S2
Molecular Weight:
591.6615
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$214
- +
10mg
≥98%
1 week
United States
$318
- +
25mg
99%
1 week
United States
$690
- +
50mg
99%
1 week
United States
$1107
- +
100mg
99%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG00A1FS
Chemical Name:
GSK 2033
CAS Number:
1221277-90-2
Molecular Formula:
C29H28F3NO5S2
Molecular Weight:
591.6615
MDL Number:
MFCD28396416
IUPAC Name:
2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
InChI:
InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3
InChI Key:
PSOXOVKYGWBTPB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
1040  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.136g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
591.66g/mol
Monoisotopic Mass:
591.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
Discovery of tertiary sulfonamides as potent liver X receptor antagonists. Journal of medicinal chemistry 20100422
Properties