Home Sulfos 2-ThiophenecarboxaMide, 4-cyano-5-[(3,5-dichloro-4-pyridinyl)thio]-N-[4-(Methylsulfonyl)phenyl]-

2-ThiophenecarboxaMide, 4-cyano-5-[(3,5-dichloro-4-pyridinyl)thio]-N-[4-(Methylsulfonyl)phenyl]-

CAS No.:
1247825-37-1
Catalog Number:
AG009CFI
Molecular Formula:
C18H11Cl2N3O3S3
Molecular Weight:
484.3992
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009CFI
Chemical Name:
2-ThiophenecarboxaMide, 4-cyano-5-[(3,5-dichloro-4-pyridinyl)thio]-N-[4-(Methylsulfonyl)phenyl]-
CAS Number:
1247825-37-1
Molecular Formula:
C18H11Cl2N3O3S3
Molecular Weight:
484.3992
MDL Number:
MFCD28009366
IUPAC Name:
4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide
InChI:
InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)
InChI Key:
GUDJFFQZIISQJB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.934g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
484.384g/mol
Monoisotopic Mass:
482.934g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Selective Dual Inhibitors of the Cancer-Related Deubiquitylating Proteases USP7 and USP47. ACS medicinal chemistry letters 20121011
Properties