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GLP-1 receptor agonist 2

CAT: 0013-GTR19205778Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205778Size:5 mg
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Description
GLP-1 receptor agonist 2
CAS Number
2230197-64-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@H]1CN (CCN1Cc1nc2ccc (cc2n1C[C@@H]1CCO1) C (O) =O) c1cccc (OCc2ccc (Cl) cc2F) n1
Molecular Formula
C30H31ClFN5O4
Molecular Weight
580.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GLP-1 receptor agonist 2
CAS Number2230197-64-3
PubChem CID134611104
IUPAC Name2-[[(2S)-4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC30H31ClFN5O4
Molecular Weight580.0
XLogP2.4
Topological Polar Surface Area93
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity892
SMILES
C[C@H]1CN(CCN1CC2=NC3=C(N2C[C@@H]4CCO4)C=C(C=C3)C(=O)O)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F
InChI
InChI=1S/C30H31ClFN5O4/c1-19-15-36(27-3-2-4-29(34-27)41-18-21-5-7-22(31)14-24(21)32)11-10-35(19)17-28-33-25-8-6-20(30(38)39)13-26(25)37(28)16-23-9-12-40-23/h2-8,13-14,19,23H,9-12,15-18H2,1H3,(H,38,39)/t19-,23-/m0/s1
InChIKey
IGXAOFNNKAUXCJ-CVDCTZTESA-N
Chemical Structure
2D Structure
2D structure of GLP-1 receptor agonist 2
CAS: 2230197-64-3
CID: 134611104
Formula: C30H31ClFN5O4
MW: 580.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight580.0
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass579.2048603
Monoisotopic Mass579.2048603
Topological Polar Surface Area93 Ų
Heavy Atom Count41
Formal Charge0
Complexity892
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