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SNAP 94847

CAT: 0931-T5406-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5406-03Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
487051-12-7
Target
Melanin-concentrating Hormone Receptor (MCHR), GPCR
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Bioactivity
SNAP 94847 (SNAP-94847) is a selective and competitive MCH1 receptor (MCH1-R) antagonist (Ki: 2.2 nM) . It has anxiolytic and antidepressant activity and reduces food intake in mice.
Smiles
CC=1C(=CC(NC(C(C)C)=O)=CC1)C2CCN(CC3=CC=C(OC4=CC(F)=C(F)C=C4)C=C3)CC2
Molecular Formula
C29H32F2N2O2
Molecular Weight
478.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide
CAS Number487051-12-7
PubChem CID16756754
IUPAC NameN-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
Molecular FormulaC29H32F2N2O2
Molecular Weight478.6
XLogP6.3
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity661
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
InChI
InChI=1S/C29H32F2N2O2/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)
InChIKey
VMLZFUVIKCGATC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide
CAS: 487051-12-7
CID: 16756754
Formula: C29H32F2N2O2
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass478.24318459
Monoisotopic Mass478.24318459
Topological Polar Surface Area41.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity661
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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