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BGC-20-1531 free base

CAT: 0931-T63316-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63316-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
736183-35-0
Target
Others, Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, Others, GPCR/G Protein
Bioactivity
BGC-20-1531 (PGN 1531) free base is a selective, potent prostaglandin EP4 receptor antagonist (pKB: 7.6) with potential applications in migraine research.
Smiles
COc1ccc(nc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2C)cc1
Molecular Formula
C26H24N2O6S
Molecular Weight
492.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BGC-20-1531 free base
CAS Number736183-35-0
PubChem CID18444613
IUPAC Name4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide
Molecular FormulaC26H24N2O6S
Molecular Weight492.5
XLogP4.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity794
SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC
InChI
InChI=1S/C26H24N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-15H,16H2,1-3H3,(H,28,29)
InChIKey
IXDVRRPNWPOPGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BGC-20-1531 free base
CAS: 736183-35-0
CID: 18444613
Formula: C26H24N2O6S
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass492.13550766
Monoisotopic Mass492.13550766
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity794
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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