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JW 642 (Standard)

CAT: 0804-HY-12332R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12332R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JW 642 (Standard) is the analytical standard of JW 642. This product is intended for research and analytical applications.
CAS Number
1416133-89-5
UNSPSC
12352005
Target
MAGL; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/jw-642-standard.html
Smiles
O=C(OC(C(F)(F)F)C(F)(F)F)N(CC1)CCN1CC2=CC(OC3=CC=CC=C3)=CC=C2
Molecular Formula
C21H20F6N2O3
Molecular Weight
462.39
References & Citations
[1]Chang JW, et al. Highly selective inhibitors of monoacylglycerol lipase bearing a reactive group that is bioisosteric with endocannabinoid substrates. Chem Biol. 2012 May 25;19 (5) :579-88.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate
CAS Number1416133-89-5
PubChem CID71656520
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate
Molecular FormulaC21H20F6N2O3
Molecular Weight462.4
XLogP5.3
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity587
SMILES
C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKey
AVSCNEOUWSVZEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate
CAS: 1416133-89-5
CID: 71656520
Formula: C21H20F6N2O3
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass462.13781148
Monoisotopic Mass462.13781148
Topological Polar Surface Area42 Ų
Heavy Atom Count32
Formal Charge0
Complexity587
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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