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JX 401

CAT: 0607-B7140-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7140-50Size:50 mg
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Description
p38α inhibitor
CAS Number
349087-34-9
Product Name Alternative
(4-benzylpiperidin-1-yl)(2-methoxy-4-(methylthio)phenyl)methanone
Field of Research
MAPK Signaling p38
Purity
≥95.00%
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C(C(C(OC)=C1)=CC=C1SC)N2CCC(CC3=CC=CC=C3)CC2
Molecular Formula
C21H25NO2S
Molecular Weight
355.49
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

JX401

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

CAS Number349087-34-9
PubChem CID1126109
IUPAC Name(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
Molecular FormulaC21H25NO2S
Molecular Weight355.5
XLogP4.6
Topological Polar Surface Area54.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity416
SMILES
COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)CC3=CC=CC=C3
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
InChIKey
OMGLGPKQUFSRNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JX401
CAS: 349087-34-9
CID: 1126109
Formula: C21H25NO2S
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass355.16060021
Monoisotopic Mass355.16060021
Topological Polar Surface Area54.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity416
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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