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Chemical structure of SNAP 94847 hydrochloride

GC17846

SNAP 94847 hydrochloride

Also known as N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride

SNAP 94847 hydrochloride is a novel, high affinity selective melanin-concentrating hormonereceptor1 (MCHR1) antagonist with (Ki= 2·2 nM, Kd=530 pM), it displays >80-fold and >500-fold selectivity overMCHα1Aand MCHD2receptors respectively

ChemicalCAS487051-12-7MW515.03FormulaC29H32F2N2O2·HCl
CAS number
487051-12-7
Molecular weight
515.03
Formula
C29H32F2N2O2·HCl
Solubility
＜51·5mg/ml in DMSO; ＜51·5mg/ml in ethanol
InChIKey
DEDUDFNRQKUBRH-UHFFFAOYSA-N
Catalogue number
GC17846
Brand
GLPBIO
Computed properties PubChem CID 56972235 · TPSA 41.6 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
41.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

SMILES CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl

Computed descriptors from PubChem (CID 56972235), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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