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SR 146131

CAT: 0926-WIA67161-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-WIA67161-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221671-61-0
Smiles
CC1=CC (=C2C (=C1) C=C (N2CC (=O) O) C (=O) NC3=NC (=C (S3) CCC4CCCCC4) C5=CC (=C (C=C5OC) Cl) OC) C
Molecular Formula
C32H36ClN3O5S
Molecular Weight
610.2 g/mol
Controlled
Yes

Chemical Information

SR-146131

a cholecystokinin subtype 1 receptor agonist; structure in first source

CAS Number221671-61-0
PubChem CID9852833
IUPAC Name2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid
Molecular FormulaC32H36ClN3O5S
Molecular Weight610.2
XLogP8.6
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity925
SMILES
CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C
InChI
InChI=1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)
InChIKey
NFDFTMICKVDYLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-146131
CAS: 221671-61-0
CID: 9852833
Formula: C32H36ClN3O5S
MW: 610.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.2
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass609.2064201
Monoisotopic Mass609.2064201
Topological Polar Surface Area131 Ų
Heavy Atom Count42
Formal Charge0
Complexity925
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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Alternative Products

CatalogName
HY-11077-01SR 146131
A21391-5SR 146131 5mg
A21391-1SR 146131 1mg
A21391-25SR 146131 25mg
A21391-10SR 146131 10mg
R1075-10VRANKL, ID (Tumor Necrosis Factor Ligand Superfamily Member 11, Osteoclast Differentiation Factor, ODF, OPGL, Receptor Activator of Nuclear Factor kappa-B Ligand, Osteoprotegerin Ligand, TNFSF11, TNF-related Activation-induced Cytokine, TRANCE, CD254) discontinued. see 146131

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