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JNJ-39393406

CAT: 0804-HY-113751-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113751-01Size:1 mg
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Description
JNJ-39393406 is a kind of biological materials or organic compounds that are widely used in life science research[1].
CAS Number
953428-73-4
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/jnj-39393406.html
Smiles
O=C(CCN1N=C(NC2=CC=C3OC(F)(OC3=C2)F)N=C1C4=CC=NC=C4)N(C)C
Molecular Formula
C19H18F2N6O3
Molecular Weight
416.38
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

3-((2,2-Difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-1H-1,2,4-triazole-1-propanamide

JNJ-39393406 has been used in trials studying the treatment and basic science of DEPRESSION, Schizophrenia, Smoking Cessation, Cognition Disorders, and Alzheimer's Disease.

CAS Number953428-73-4
PubChem CID16755766
IUPAC Name3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-pyridin-4-yl-1,2,4-triazol-1-yl]-N,N-dimethylpropanamide
Molecular FormulaC19H18F2N6O3
Molecular Weight416.4
XLogP2.4
Topological Polar Surface Area94.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity607
SMILES
CN(C)C(=O)CCN1C(=NC(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)C4=CC=NC=C4
InChI
InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)
InChIKey
IURMHZBQEYNQOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((2,2-Difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-1H-1,2,4-triazole-1-propanamide
CAS: 953428-73-4
CID: 16755766
Formula: C19H18F2N6O3
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass416.14084478
Monoisotopic Mass416.14084478
Topological Polar Surface Area94.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity607
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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