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AS1928370

CAT: 0931-T26663-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26663-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345614-89-2
Target
Others, TRP/TRPV Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
AS1928370 is an antagonist of transient receptor potential vanilloid 1 (TRPV1) .
Smiles
C(C1=C(C=CC(C(NC=2C=C3C(=CC2)CCC(=O)N3C)=O)=C1)C4=CC=CC=C4)N5[C@H](C)CCC5
Molecular Formula
C29H31N3O2
Molecular Weight
453.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 53262437
CAS Number1345614-89-2
PubChem CID53262437
IUPAC NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide
Molecular FormulaC29H31N3O2
Molecular Weight453.6
XLogP4.5
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity720
SMILES
C[C@@H]1CCCN1CC2=C(C=CC(=C2)C(=O)NC3=CC4=C(CCC(=O)N4C)C=C3)C5=CC=CC=C5
InChI
InChI=1S/C29H31N3O2/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34)/t20-/m1/s1
InChIKey
UVEZHZVGDONTIH-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of CID 53262437
CAS: 1345614-89-2
CID: 53262437
Formula: C29H31N3O2
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass453.24162724
Monoisotopic Mass453.24162724
Topological Polar Surface Area52.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity720
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

Alternative Products

CatalogName
MBS5776391AS1928370

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