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Gsk2981278

CAS No.:
1474110-21-8
Catalog Number:
AG001EVF
Molecular Formula:
C25H35NO5S
Molecular Weight:
461.6141
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$279
- +
50mg
99%
1 week
United States
$737
- +
100mg
99%
1 week
United States
$1154
- +
Product Description
Catalog Number:
AG001EVF
Chemical Name:
Gsk2981278
CAS Number:
1474110-21-8
Molecular Formula:
C25H35NO5S
Molecular Weight:
461.6141
MDL Number:
MFCD29059455
IUPAC Name:
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
InChI:
InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
InChI Key:
LZLBRISQTJVZNP-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C
UNII:
L49V5G013I
Properties
Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.224g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
461.617g/mol
Monoisotopic Mass:
461.224g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Development of a Topical Treatment for Psoriasis Targeting RORγ: From Bench to Skin. PloS one 20160101
Pharmacologic inhibition of RORγt regulates Th17 signature gene expression and suppresses cutaneous inflammation in vivo. Journal of immunology (Baltimore, Md. : 1950) 20140315
Properties