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SCO-267

CAT: 1596-AR-S09310-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09310-02Size:25 Units
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CAS Number
1656261-09-4
Synonyms
(3S) -3-Cyclopropyl-3-[2-[[1-[2-[ (2,2-dimethylpropyl) (6-methylpyridin-2-yl) carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]pyridin-4-yl]propanoic acid
Molecular Formula
C36H46N4O5
API Name
SCO-267

Chemical Information

Sco-267

GPR40 full agonist

CAS Number1656261-09-4
PubChem CID90479828
IUPAC Name(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
Molecular FormulaC36H46N4O5
Molecular Weight614.8
XLogP6.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity962
SMILES
CC1=NC(=CC=C1)N(CC(C)(C)C)C(=O)C2=C(C=C(C=C2)OC)N3CCC(CC3)COC4=NC=CC(=C4)[C@@H](CC(=O)O)C5CC5
InChI
InChI=1S/C36H46N4O5/c1-24-7-6-8-32(38-24)40(23-36(2,3)4)35(43)29-12-11-28(44-5)20-31(29)39-17-14-25(15-18-39)22-45-33-19-27(13-16-37-33)30(21-34(41)42)26-9-10-26/h6-8,11-13,16,19-20,25-26,30H,9-10,14-15,17-18,21-23H2,1-5H3,(H,41,42)/t30-/m0/s1
InChIKey
VVRXREQIOCYUKN-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of Sco-267
CAS: 1656261-09-4
CID: 90479828
Formula: C36H46N4O5
MW: 614.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.8
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass614.34682058
Monoisotopic Mass614.34682058
Topological Polar Surface Area105 Ų
Heavy Atom Count45
Formal Charge0
Complexity962
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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