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Mcc950

CAS No.:
210826-40-7
Catalog Number:
AG00BF68
Molecular Formula:
C20H24N2O5S
Molecular Weight:
404.4800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$140
- +
10mg
99%
1 week
United States
$203
- +
Product Description
Catalog Number:
AG00BF68
Chemical Name:
Mcc950
CAS Number:
210826-40-7
Molecular Formula:
C20H24N2O5S
Molecular Weight:
404.4800
MDL Number:
MFCD28900720
IUPAC Name:
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
InChI:
InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
InChI Key:
HUUSXLKCTQDPGL-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2
Properties
Complexity:
684  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.141g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
404.481g/mol
Monoisotopic Mass:
404.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Inhibiting the Inflammasome: A Chemical Perspective. Journal of medicinal chemistry 20160310
Properties