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BVT 2733

CAT: 0931-T2057-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T2057-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
376640-41-4
Target
Dehydrogenase
Related Pathways
Metabolism
Purity
0.9964
Bioactivity
BVT 2733 is a new, non-steroidal, isoform-specific inhibitor of 11β-HSD1.
Smiles
CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Molecular Formula
C17H21ClN4O3S2
Molecular Weight
428.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-chloro-2-methyl-N-(4-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-1,3-thiazol-2-yl)benzenesulfonamide
CAS Number376640-41-4
PubChem CID6918651
IUPAC Name3-chloro-2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
Molecular FormulaC17H21ClN4O3S2
Molecular Weight429.0
XLogP2
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity622
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C
InChI
InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
InChIKey
YDPRNGAPPNPYQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-chloro-2-methyl-N-(4-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-1,3-thiazol-2-yl)benzenesulfonamide
CAS: 376640-41-4
CID: 6918651
Formula: C17H21ClN4O3S2
MW: 429.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.0
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass428.0743606
Monoisotopic Mass428.0743606
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity622
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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