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GW791343 3HCl

CAT: 1410-M17471-01Size: 1 EachDry Ice: NoHazardous: No
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Description
GW791343 HCl is aHCl salt form of GW791343, which is a non-competitive allosteric modulator of human P2X7 receptor inhibitor with pIC50 of 7.
CAS Number
309712-55-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
483.81
Molecular Formula
C20H24F2N4O·3HCl
Notes
Research use only, not for human use.
Receptor
P2X7

Chemical Information

GW791343 trihydrochloride
CAS Number309712-55-8
PubChem CID9848159
IUPAC Name2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide;trihydrochloride
Molecular FormulaC20H27Cl3F2N4O
Molecular Weight483.8
Topological Polar Surface Area56.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity475
SMILES
CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F.Cl.Cl.Cl
InChI
InChI=1S/C20H24F2N4O.3ClH/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16;;;/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27);3*1H
InChIKey
WSBRAHWNJBXXJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW791343 trihydrochloride
CAS: 309712-55-8
CID: 9848159
Formula: C20H27Cl3F2N4O
MW: 483.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass482.121851
Monoisotopic Mass482.121851
Topological Polar Surface Area56.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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CatalogName
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