Products for Research Use Only

JNJ-42165279

CAT: 0931-T3215-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T3215-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1346528-50-4
Target
Autophagy, FAAH
Related Pathways
Neuroscience, Metabolism, Autophagy
Purity
0.9991
Bioactivity
JNJ-42165279 covalently inactivates the FAAH enzyme but is highly selective with regard to other enzymes, ion channels, transporters, and receptors. JNJ-42165279 (10 μM) exhibits high selectivity against a panel of 50 receptors, enzymes, transporters, and ion-channels, at which concentration it does not produce >50% inhibition of binding to any of the targets. Fortunately, JNJ-42165279 (10 μM) also does not inhibit CYPs (1A2, 2C8, 2C9, 2C19, 2D6, 3A4) or hERG.
Smiles
FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1
Molecular Formula
C18H17ClF2N4O3
Molecular Weight
410.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-Chloro-3-pyridinyl)-4-((2,2-difluoro-1,3-benzodioxol-5-yl)methyl)-1-piperazinecarboxamide

Jnj-42165279 is under investigation in clinical trial NCT02498392 (An Efficacy, Safety and Tolerability Study of JNJ-42165279 in Participants With Major Depressive Disorder With Anxious Distress).

CAS Number1346528-50-4
PubChem CID54576693
IUPAC NameN-(4-chloro-3-pyridinyl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide
Molecular FormulaC18H17ClF2N4O3
Molecular Weight410.8
XLogP2.6
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity565
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=CN=C4)Cl
InChI
InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKey
YWGYNGCRVZLMCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Chloro-3-pyridinyl)-4-((2,2-difluoro-1,3-benzodioxol-5-yl)methyl)-1-piperazinecarboxamide
CAS: 1346528-50-4
CID: 54576693
Formula: C18H17ClF2N4O3
MW: 410.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass410.0957244
Monoisotopic Mass410.0957244
Topological Polar Surface Area66.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity565
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