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JP104

CAT: 0931-T78593-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T78593-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887264-45-1
Target
FAAH
Related Pathways
Metabolism, Neuroscience
Bioactivity
JP104 is an aryl carbamate that irreversibly inhibits fatty acid amide hydrolase (FAAH) with a pIC50 value of approximately 8 [1].
Smiles
C(N)(=O)C=1C=C(C=CC1)C2=CC(OC(NCCCCCCCCCC#C)=O)=CC=C2
Molecular Formula
C25H30N2O3
Molecular Weight
406.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CAS Number887264-45-1
PubChem CID24860363
IUPAC Name[3-(3-carbamoylphenyl)phenyl] N-undec-10-ynylcarbamate
Molecular FormulaC25H30N2O3
Molecular Weight406.5
XLogP6
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity568
SMILES
C#CCCCCCCCCCNC(=O)OC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)N
InChI
InChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-9-10-17-27-25(29)30-23-16-12-14-21(19-23)20-13-11-15-22(18-20)24(26)28/h1,11-16,18-19H,3-10,17H2,(H2,26,28)(H,27,29)
InChIKey
BCKBOXGAYIOHDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CAS: 887264-45-1
CID: 24860363
Formula: C25H30N2O3
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass406.22564282
Monoisotopic Mass406.22564282
Topological Polar Surface Area81.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity568
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

Alternative Products

CatalogName
MBS5820258JP104

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