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GLP-1R agonist 8

CAT: 0931-T63999-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63999-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2736446-82-3
Target
Others, Glucagon Receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
GLP-1R agonist 8 is a potent GLP-1R agonist with an EC50 of less than 2 nM.
Smiles
C(N1C=2C(N=C1CN3CCC(CC3)C4=C5C(O[C@@H](CO5)C6=CC=C(C#N)C=C6)=CC=C4)=CC=C(C(O)=O)C2)[C@@H]7CCO7
Molecular Formula
C33H32N4O5
Molecular Weight
564.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GLP-1R agonist 8
CAS Number2736446-82-3
PubChem CID163196352
IUPAC Name2-[[4-[(2R)-2-(4-cyanophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC33H32N4O5
Molecular Weight564.6
XLogP1.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity988
SMILES
C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=C6C(=CC=C5)O[C@@H](CO6)C7=CC=C(C=C7)C#N
InChI
InChI=1S/C33H32N4O5/c34-17-21-4-6-23(7-5-21)30-20-41-32-26(2-1-3-29(32)42-30)22-10-13-36(14-11-22)19-31-35-27-9-8-24(33(38)39)16-28(27)37(31)18-25-12-15-40-25/h1-9,16,22,25,30H,10-15,18-20H2,(H,38,39)/t25-,30-/m0/s1
InChIKey
RKGAOZLEVAHEJK-QCDSWUKFSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 8
CAS: 2736446-82-3
CID: 163196352
Formula: C33H32N4O5
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass564.23727013
Monoisotopic Mass564.23727013
Topological Polar Surface Area110 Ų
Heavy Atom Count42
Formal Charge0
Complexity988
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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