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CFMB

CAT: 0931-T23877-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23877-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1208552-99-1
Target
Others, GPCR
Related Pathways
Endocrinology/Hormones, Others, GPCR/G Protein
Bioactivity
CFMB is the FFA2 receptor agonist.
Smiles
[C@H](C(NC=1SC(=CN1)C2=CC=CC=C2)=O)(C(C)(C)C)C3=CC=C(Cl)C=C3
Molecular Formula
C21H21ClN2OS
Molecular Weight
384.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CAS Number1208552-99-1
PubChem CID46226294
IUPAC Name(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
Molecular FormulaC21H21ClN2OS
Molecular Weight384.9
XLogP6.1
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity467
SMILES
CC(C)(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=NC=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C21H21ClN2OS/c1-21(2,3)18(15-9-11-16(22)12-10-15)19(25)24-20-23-13-17(26-20)14-7-5-4-6-8-14/h4-13,18H,1-3H3,(H,23,24,25)/t18-/m0/s1
InChIKey
ZVAPEFXSRDIMFP-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CAS: 1208552-99-1
CID: 46226294
Formula: C21H21ClN2OS
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass384.1063122
Monoisotopic Mass384.1063122
Topological Polar Surface Area70.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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