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AK-7

CAT: 1410-M14434-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M14434-07Size:100 mg
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Description
A potent, selective and brain-permeable SIRT2 inhibitor with IC50 of 15.5 uM.
CAS Number
420831-40-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
437.3506
Molecular Formula
C19H21BrN2O3S
Notes
Research use only, not for human use.
Receptor
Sirtuin

Chemical Information

3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CAS Number420831-40-9
PubChem CID1328033
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.4
XLogP3.8
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity570
SMILES
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C19H21BrN2O3S/c20-16-8-6-9-17(14-16)21-19(23)15-7-5-10-18(13-15)26(24,25)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2,(H,21,23)
InChIKey
IYAYHZZWYNXHEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CAS: 420831-40-9
CID: 1328033
Formula: C19H21BrN2O3S
MW: 437.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass436.04563
Monoisotopic Mass436.04563
Topological Polar Surface Area74.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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