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GLP-1R agonist 1

CAT: 0931-T64180-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64180-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2711019-49-5
Target
Others, Glucagon Receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
GLP-1R agonist 1, a thickened imidazole derivative, is a potent agonist of GLP-1R with potential applications in diabetes research.
Smiles
C[C@]1(OC=2C(O1)=CC=CC2C=3CCN(CC=4N(C[C@@H]5CCO5)C=6C(N4)=CC=C(C(O)=O)C6)CC3)C7=C(F)C=C(Cl)C=C7
Molecular Formula
C32H29ClFN3O5
Molecular Weight
590.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GLP-1R agonist 1
CAS Number2711019-49-5
PubChem CID156869864
IUPAC Name2-[[4-[(2S)-2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC32H29ClFN3O5
Molecular Weight590.0
XLogP2.7
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
C[C@@]1(OC2=CC=CC(=C2O1)C3=CCN(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/C32H29ClFN3O5/c1-32(24-7-6-21(33)16-25(24)34)41-28-4-2-3-23(30(28)42-32)19-9-12-36(13-10-19)18-29-35-26-8-5-20(31(38)39)15-27(26)37(29)17-22-11-14-40-22/h2-9,15-16,22H,10-14,17-18H2,1H3,(H,38,39)/t22-,32-/m0/s1
InChIKey
DVQZQZUPAYGPQC-ICACTRECSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 1
CAS: 2711019-49-5
CID: 156869864
Formula: C32H29ClFN3O5
MW: 590.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.0
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass589.1779769
Monoisotopic Mass589.1779769
Topological Polar Surface Area86.1 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
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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