MF-438

CAT: 0127-BUP09449-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09449-06Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

921605-87-0

Purity

=98%

Smiles

Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F

Chemical Information

MF-438

inhibits stearoyl-CoA desaturase 1; structure in first source

CAS Number	921605-87-0
PubChem CID	16042458
IUPAC Name	2-methyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]-1,3,4-thiadiazole
Molecular Formula	C19H18F3N5OS
Molecular Weight	421.4
XLogP	3.9
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	534

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

CAS: 921605-87-0

CID: 16042458

Formula: C19H18F3N5OS

MW: 421.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	421.11841587
Monoisotopic Mass	421.11841587
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA8354-5	MF-438