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CK-37

CAT: 1410-M10017-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10017-02Size:5 mg
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Description
A potent, specific, competitive inhibitor of choline kinase-α (Chok-α) by targeting the choline binding site.
CAS Number
1001478-90-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
366.483
Molecular Formula
C20H22N4OS
Notes
Research use only, not for human use.
Receptor
ChoK

Chemical Information

N-(3,5-dimethylphenyl)-2-((5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl)sulfanyl)acetamide

inhibits choline kinase-alpha; structure in first source

CAS Number1001478-90-5
PubChem CID7538443
IUPAC NameN-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular FormulaC20H22N4OS
Molecular Weight366.5
XLogP4.9
Topological Polar Surface Area96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity445
SMILES
CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H22N4OS/c1-4-15-5-7-16(8-6-15)19-22-20(24-23-19)26-12-18(25)21-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKey
PSJVIOBOAOSNIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,5-dimethylphenyl)-2-((5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl)sulfanyl)acetamide
CAS: 1001478-90-5
CID: 7538443
Formula: C20H22N4OS
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass366.15143251
Monoisotopic Mass366.15143251
Topological Polar Surface Area96 Ų
Heavy Atom Count26
Formal Charge0
Complexity445
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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