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Home Sulfos 5-(Piperidin-1-ylsulfonyl)-1h-indole-2,3-dione

5-(Piperidin-1-ylsulfonyl)-1h-indole-2,3-dione

CAS No.:
329905-79-5
Catalog Number:
AG00BYO5
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$100
- +
250mg
96%
In Stock USA
United States
$200
- +
1g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00BYO5
Chemical Name:
5-(Piperidin-1-ylsulfonyl)-1h-indole-2,3-dione
CAS Number:
329905-79-5
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
MDL Number:
MFCD02939918
IUPAC Name:
5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
InChI:
InChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
InChI Key:
YATIWPMEKYVTAO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)N1CCCCC1
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.325g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. Bioorganic & medicinal chemistry 20090815
Potent and selective nonpeptide inhibitors of caspases 3 and 7. Journal of medicinal chemistry 20010607
Properties