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SCD1 inhibitor-3

CAT: 0931-T38683-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38683-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1282606-48-7
Target
Dehydrogenase, Stearoyl-CoA Desaturase (SCD)
Related Pathways
Metabolism
Purity
0.995
Bioactivity
SCD1 inhibitor-3 (ML-270) is a highly effective and orally available compound that inhibits SCD1 with remarkable safety. SCD1 inhibitor-3 demonstrates strong potential for research in metabolic diseases, including obesity, type II diabetes, and dyslipidemia, as well as various skin conditions like acne and cancer.
Smiles
Fc1ccc(Cn2ncn(-c3cc(n[nH]3)C(=O)NCc3cccnc3)c2=O)cc1
Molecular Formula
C19H16FN7O2
Molecular Weight
393.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SCD1 inhibitor-3
CAS Number1282606-48-7
PubChem CID51354459
IUPAC Name3-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
Molecular FormulaC19H16FN7O2
Molecular Weight393.4
XLogP1.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
C1=CC(=CN=C1)CNC(=O)C2=CC(=NN2)N3C=NN(C3=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)
InChIKey
FAIXKYSRYKWWGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SCD1 inhibitor-3
CAS: 1282606-48-7
CID: 51354459
Formula: C19H16FN7O2
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass393.13495094
Monoisotopic Mass393.13495094
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
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