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JNJ-42165279

CAT: 0607-C4122-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C4122-25Size:25 mg
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Description
FAAH inhibitor
CAS Number
1346528-50-4
Product Name Alternative
N-(4-chloro-3-pyridinyl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-piperazinecarboxamide
Field of Research
Metabolism FAAH
Purity
0.98
Form
A crystalline solid
Solubility
≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
ClC1=CC=NC=C1NC(N2CCN(CC3=CC=C(OC(F)(F)O4)C4=C3)CC2)=O
Molecular Formula
C18H17ClF2N4O3
Molecular Weight
410.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
GTR19163787-01JNJ-42165279
A15954-10JNJ-42165279 10mg
A15954-5JNJ-42165279 5mg
HY-19636AJNJ-42165279 (dihydrochloride)
A15954-200JNJ-42165279 200mg
A15954-50JNJ-42165279 50mg
A15954-100JNJ-42165279 100mg
A15954-25JNJ-42165279 25mg
T86772-01JNJ-42165279 dihydrochloride
A15954-2JNJ-42165279 2mg

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