SNAP94847 hydrochloride

CAT: 0957-S0080-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S0080-5mgSize:5 mg

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

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CAS Number

1781934-47-1

Synonyms

SNAP 94847 hydrochloride

Target

GPR

Applications

GPCR & G Protein

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

Molecular Formula

C29H33ClF2N2O2

Additionnal Information

SNAP 94847 hydrochloride is a high affinity and selective antagonist of the MCH1 receptor with an IC50 of 230 nM for rat MCH1 in FLIPR calcium mobility assay.

Storage Conditions

3 years -20°C powder

Chemical Information

SNAP 94847 hydrochloride

CAS Number	1781934-47-1
PubChem CID	56972235
IUPAC Name	N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride
Molecular Formula	C29H33ClF2N2O2
Molecular Weight	515.0
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	661

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

InChI

InChI=1S/C29H32F2N2O2.ClH/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25;/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34);1H

InChIKey

DEDUDFNRQKUBRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1781934-47-1

CID: 56972235

Formula: C29H33ClF2N2O2

MW: 515.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	515.0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	514.2198623
Monoisotopic Mass	514.2198623
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	661
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	2
Compound Is Canonicalized	Yes

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Chemical Information

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