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GLP-1R agonist 4

CAT: 0013-GTR19221331-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221331-01Size:5 mg
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Description
GLP-1R agonist 4 is a potent small molecule agonist of the glucagon-like peptide-1 receptor, mimicking the action of endogenous GLP-1. It is a valuable research tool for studying diabetes and metabolic disorders in both in vitro and in vivo experimental models.
CAS Number
2401894-26-4
Field of Research
Pharmacology & Drug Discovery
Smiles
CC1 (Oc2c (O1) c (ccc2F) C1CCN (Cc2nc3ccc (cc3n2C[C@@H]2CCO2) C (O) =O) CC1) c1ccc (Cl) cc1F
Molecular Formula
C32H30ClF2N3O5
Molecular Weight
610.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GLP-1R agonist 4
CAS Number2401894-26-4
PubChem CID146609160
IUPAC Name2-[[4-[2-(4-chloro-2-fluorophenyl)-7-fluoro-2-methyl-1,3-benzodioxol-4-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC32H30ClF2N3O5
Molecular Weight610.0
XLogP3.1
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1010
SMILES
CC1(OC2=C(C=CC(=C2O1)F)C3CCN(CC3)CC4=NC5=C(N4C[C@@H]6CCO6)C=C(C=C5)C(=O)O)C7=C(C=C(C=C7)Cl)F
InChI
InChI=1S/C32H30ClF2N3O5/c1-32(23-5-3-20(33)15-25(23)35)42-29-22(4-6-24(34)30(29)43-32)18-8-11-37(12-9-18)17-28-36-26-7-2-19(31(39)40)14-27(26)38(28)16-21-10-13-41-21/h2-7,14-15,18,21H,8-13,16-17H2,1H3,(H,39,40)/t21-,32?/m0/s1
InChIKey
IIDQXCXBRQKHNZ-GIFGLUKTSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 4
CAS: 2401894-26-4
CID: 146609160
Formula: C32H30ClF2N3O5
MW: 610.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.0
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass609.1842051
Monoisotopic Mass609.1842051
Topological Polar Surface Area86.1 Ų
Heavy Atom Count43
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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