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GLP-1R agonist 15

CAT: 0931-T74609-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74609-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2763621-11-8
Target
Others, Glucagon Receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
GLP-1R agonist 15 (Compound 101) is a GLP-1 receptor agonist [1].
Smiles
CC1CC1(c1noc(=O)[nH]1)n1c(cc2cc(ccc12)C1CCOCC1)C(=O)N1CCc2nn(c(c2C1C)-n1ccn(-c2ccc(CS(C)(=O)=O)cc2)c1=O)-c1cc(C)c(F)c(C)c1
Molecular Formula
C46H47FN8O7S
Molecular Weight
874.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GLP-1R agonist 15
CAS Number2763621-11-8
PubChem CID163561388
IUPAC Name3-[1-[2-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-[3-[4-(methylsulfonylmethyl)phenyl]-2-oxoimidazol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular FormulaC46H47FN8O7S
Molecular Weight875.0
XLogP5.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count63
Formal Charge0
Complexity1940
SMILES
CC1CC1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)C5CCOCC5)C=C3C(=O)N6CCC7=NN(C(=C7C6C)N8C=CN(C8=O)C9=CC=C(C=C9)CS(=O)(=O)C)C1=CC(=C(C(=C1)C)F)C
InChI
InChI=1S/C46H47FN8O7S/c1-26-20-35(21-27(2)40(26)47)55-41(53-17-16-52(45(53)58)34-9-6-30(7-10-34)25-63(5,59)60)39-29(4)51(15-12-36(39)49-55)42(56)38-23-33-22-32(31-13-18-61-19-14-31)8-11-37(33)54(38)46(24-28(46)3)43-48-44(57)62-50-43/h6-11,16-17,20-23,28-29,31H,12-15,18-19,24-25H2,1-5H3,(H,48,50,57)
InChIKey
FRMMAGHRLXCIQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 15
CAS: 2763621-11-8
CID: 163561388
Formula: C46H47FN8O7S
MW: 875.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight875.0
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass874.32724520
Monoisotopic Mass874.32724520
Topological Polar Surface Area169 Ų
Heavy Atom Count63
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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