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SNT-207858 free base

CAT: 0931-T12945-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T12945-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1104662-66-9
Target
Others, Melanocortin Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
SNT-207858 free base is a selective, blood brain barrier penetrating, potent and orally active antagonist of melanocortin-4 (MC-4) receptor (IC50 of 22 nM (binding) and 11 nM (function), on the MC-4 receptor) .
Smiles
CC[C@H](COc1cccnc1C1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCCC1)N1CCCC1
Molecular Formula
C32H43Cl2N5O3
Molecular Weight
616.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SNT-207858 (free base)
CAS Number1104662-66-9
PubChem CID42630200
IUPAC NameN-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
Molecular FormulaC32H43Cl2N5O3
Molecular Weight616.6
XLogP5.5
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity863
SMILES
CC[C@H](COC1=C(N=CC=C1)C2CCN(CC2)C(=O)[C@@H](CC3=C(C=C(C=C3)Cl)Cl)NC(=O)N4CCCC4)N5CCCC5
InChI
InChI=1S/C32H43Cl2N5O3/c1-2-26(37-14-3-4-15-37)22-42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41)/t26-,28-/m1/s1
InChIKey
GNSVFEJLUPMLCZ-IXCJQBJRSA-N
Chemical Structure
2D Structure
2D structure of SNT-207858 (free base)
CAS: 1104662-66-9
CID: 42630200
Formula: C32H43Cl2N5O3
MW: 616.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass615.2742956
Monoisotopic Mass615.2742956
Topological Polar Surface Area78 Ų
Heavy Atom Count42
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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