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HGPR91 antagonist 1

CAT: 0931-T11560-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11560-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314796-00-3
Target
Succinate Receptor 1 (SUCNR1)
Related Pathways
GPCR/G Protein
Purity
0.9985
Bioactivity
HGPR91 antagonist 1 is a potent and selective hGPR91 antagonist (IC50: 7 nM) .
Smiles
C(C(N[C@@H](C)C1=CC=C(C=C1)C2=CC(C(F)(F)F)=C(F)C=C2)=O)C3=CC=C(C4=NC5=C(C=C4)C=CC=N5)C=C3
Molecular Formula
C31H23F4N3O
Molecular Weight
529.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

hGPR91 antagonist 1
CAS Number1314796-00-3
PubChem CID53358775
IUPAC NameN-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
Molecular FormulaC31H23F4N3O
Molecular Weight529.5
XLogP6.8
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity793
SMILES
C[C@@H](C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4
InChI
InChI=1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1
InChIKey
SSQLYMLUWZAJTK-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of hGPR91 antagonist 1
CAS: 1314796-00-3
CID: 53358775
Formula: C31H23F4N3O
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass529.17772501
Monoisotopic Mass529.17772501
Topological Polar Surface Area54.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity793
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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