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GLP-1R agonist 3

CAT: 0931-T63909-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T63909-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2428640-18-8
Target
Glucagon Receptor
Related Pathways
GPCR/G Protein
Purity
0.9719
Bioactivity
GLP-1R agonist 3 is a potent imidazole derivative and GLP-1R agonist with demonstrated research potential in diabetes. [Thickened]
Smiles
C(N1C=2C(N=C1CN3CCC(=CC3)C=4N=C(OCC5=C(F)C=C(C#N)C=C5)C=CC4)=CC=C(C(O)=O)C2)[C@@H]6CCO6
Molecular Formula
C31H28FN5O4
Molecular Weight
553.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GLP-1R agonist 3
CAS Number2428640-18-8
PubChem CID150440053
IUPAC Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC31H28FN5O4
Molecular Weight553.6
XLogP1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1000
SMILES
C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(=CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F
InChI
InChI=1S/C31H28FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-8,14-15,24H,9-13,17-19H2,(H,38,39)/t24-/m0/s1
InChIKey
HLOTYODPTNOHMJ-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 3
CAS: 2428640-18-8
CID: 150440053
Formula: C31H28FN5O4
MW: 553.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.6
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass553.21253255
Monoisotopic Mass553.21253255
Topological Polar Surface Area114 Ų
Heavy Atom Count41
Formal Charge0
Complexity1000
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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