JX401

Iupac Name：(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone

Molecular Weight：355.5

Modify Date.: 2022-11-25 05:15

Introduction:

[2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone is a N-acylpiperidine and a member of benzamides.

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1. Names and Identifiers

1.1 Name: JX401
1.2 Synonyms: 1-[2-Methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)piperidine 1-[2-Methoxy-4-(methylthio)benzoyl]-4-benzylpiperidine Methanone, [2-methoxy-4-(methylthio)phenyl][4-(phenylmethyl)-1-piperidinyl]- p38 MAP Kinase Inhibitor VI, JX401 p38 MAP Kinase Inhibitor VI, JX401 - CAS 349087-34-9 - Calbiochem

1.6 Inchi: InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3

2. Properties

3. Safety and Handling

4. MSDS

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

5. Computational chemical data

Molecular Weight: 355.5g/mol
Molecular Formula: C₂₁H₂₅NO₂S
Compound Is Canonicalized: True
XLogP3-AA: 4.6
Exact Mass: 355.16060021
Monoisotopic Mass: 355.16060021
Complexity: 416
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 54.8
Heavy Atom Count: 25
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB6MABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgQAAAAADQTB2AayB4MABAiIAiFSEACCCAAkKBAIiBkODMgMJjaktRuEMWhm5hGIqYeYyOCOEAAABAAIAAAgAAAIABAAAAAAAAAAAA==