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MF-438

CAT: 1410-M22502-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M22502-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MF-438 is an effective and orally bioavailable stearoyl-CoA desaturase 1 (SCD1) inhibitor (EC50: 2.3 nM for rSCD1) . In a mouse model, MF-438 shows an ED50 between 1 and 3 mg/kg.
CAS Number
921605-87-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
421.44
Molecular Formula
C19H18F3N5OS
Notes
Research use only, not for human use.
Receptor
SCD

Chemical Information

MF-438

inhibits stearoyl-CoA desaturase 1; structure in first source

CAS Number921605-87-0
PubChem CID16042458
IUPAC Name2-methyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]-1,3,4-thiadiazole
Molecular FormulaC19H18F3N5OS
Molecular Weight421.4
XLogP3.9
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity534
SMILES
CC1=NN=C(S1)C2=NN=C(C=C2)N3CCC(CC3)OC4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
InChIKey
NVUJDKDVOZVALT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MF-438
CAS: 921605-87-0
CID: 16042458
Formula: C19H18F3N5OS
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass421.11841587
Monoisotopic Mass421.11841587
Topological Polar Surface Area92.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity534
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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CatalogName
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