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11β-HSD1 inibitor 17

CAT: 0931-T67903-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T67903-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
946394-50-9
Target
Dehydrogenase
Related Pathways
Metabolism
Purity
0.9972
Bioactivity
11β-HSD1 inibitor 17 is an inhibitor of 11β-hydroxysteroid dehydrogenase (11β-HSD1) .
Smiles
C(F)(F)(F)C1=C(N=CC=C1)N2CCN(S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC2
Molecular Formula
C22H20F3N3O2S
Molecular Weight
447.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arylsulfonylpiperazine, 17
CAS Number946394-50-9
PubChem CID44237022
IUPAC Name1-(4-phenylphenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.5
XLogP4.4
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity675
SMILES
C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20F3N3O2S/c23-22(24,25)20-7-4-12-26-21(20)27-13-15-28(16-14-27)31(29,30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-16H2
InChIKey
ONBIFHXEZPQLAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arylsulfonylpiperazine, 17
CAS: 946394-50-9
CID: 44237022
Formula: C22H20F3N3O2S
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass447.12283255
Monoisotopic Mass447.12283255
Topological Polar Surface Area61.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity675
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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