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SNAP-7941

CAT: 0931-T28823-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28823-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
387825-78-7
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
SNAP-7941 is a selective antagonist of the melanin concentrating hormone receptor MCH1 with promising anxiolytic, antidepressant and anorectic effects in initial animal studies.
Smiles
C(OC)(=O)C=1[C@@H](N(C(NCCCN2CCC(CC2)C3=CC(NC(C)=O)=CC=C3)=O)C(=O)NC1COC)C4=CC(F)=C(F)C=C4
Molecular Formula
C31H37F2N5O6
Molecular Weight
613.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Snap-7941

structure in first source

CAS Number387825-78-7
PubChem CID11520239
IUPAC Namemethyl (4S)-3-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propylcarbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Molecular FormulaC31H37F2N5O6
Molecular Weight613.7
XLogP2.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity1070
SMILES
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC(=O)N3[C@H](C(=C(NC3=O)COC)C(=O)OC)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
InChIKey
FWMHZWMPUWAUPL-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Snap-7941
CAS: 387825-78-7
CID: 11520239
Formula: C31H37F2N5O6
MW: 613.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.7
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass613.27119024
Monoisotopic Mass613.27119024
Topological Polar Surface Area129 Ų
Heavy Atom Count44
Formal Charge0
Complexity1070
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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