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PF3845yne

CAT: 0931-T33953-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33953-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1196109-53-1
Target
Others
Related Pathways
Others
Bioactivity
PF3845yne is an alkyne analogue of PF-3845 maintaining high potency for FAAH.
Smiles
C(NC=1C=CC=NC1)(=O)N2CCC(CC3=CC(OC4=CC=C(C#C)C=N4)=CC=C3)CC2
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(3-((5-Ethynylpyridin-2-yl)oxy)benzyl)-N-(pyridin-3-yl)piperidine-1-carboxamide
CAS Number1196109-53-1
PubChem CID71296089
IUPAC Name4-[[3-[(5-ethynyl-2-pyridinyl)oxy]phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP3.8
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity624
SMILES
C#CC1=CN=C(C=C1)OC2=CC=CC(=C2)CC3CCN(CC3)C(=O)NC4=CN=CC=C4
InChI
InChI=1S/C25H24N4O2/c1-2-19-8-9-24(27-17-19)31-23-7-3-5-21(16-23)15-20-10-13-29(14-11-20)25(30)28-22-6-4-12-26-18-22/h1,3-9,12,16-18,20H,10-11,13-15H2,(H,28,30)
InChIKey
YOUNTNMKNQNFDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-((5-Ethynylpyridin-2-yl)oxy)benzyl)-N-(pyridin-3-yl)piperidine-1-carboxamide
CAS: 1196109-53-1
CID: 71296089
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area67.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity624
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
MBS5783484PF3845yne

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