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AK-1

CAS No.:
330461-64-8
Catalog Number:
AG00CJG6
Molecular Formula:
C19H21N3O5S
Molecular Weight:
403.4521
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥90%
1 week
United States
$119
- +
10mg
≥90%
1 week
United States
$157
- +
25mg
≥90%
1 week
United States
$291
- +
50mg
99%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG00CJG6
Chemical Name:
AK-1
CAS Number:
330461-64-8
Molecular Formula:
C19H21N3O5S
Molecular Weight:
403.4521
MDL Number:
MFCD01122550
IUPAC Name:
3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
InChI:
InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)
InChI Key:
HAYBKCHPEBZNGW-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)S(=O)(=O)N1CCCCCC1)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
650  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.12g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.453g/mol
Monoisotopic Mass:
403.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
3-(N-arylsulfamoyl)benzamides, inhibitors of human sirtuin type 2 (SIRT2). Bioorganic & medicinal chemistry letters 20120415
After the grape rush: sirtuins as epigenetic drug targets in neurodegenerative disorders. Bioorganic & medicinal chemistry 20110615
Properties