N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

Base Information

Chemical Name:N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
CAS No.:113558-89-7
Molecular Formula:C21H27 N3 O3 S
Molecular Weight:401.53
Hs Code.:
European Community (EC) Number:690-710-2
UNII:1L1K8X5DF9
DSSTox Substance ID:DTXSID00150458
Nikkaji Number:J269.503K
Wikipedia:E-4031
Wikidata:Q5321366
Pharos Ligand ID:ZWAKCS7JV24Y
Metabolomics Workbench ID:67447
ChEMBL ID:CHEMBL327980
Mol file:113558-89-7.mol

Synonyms:2-methyl-6-(2-(4-(4-methylsulfonylamino)benzoylpiperidin-1-yl)ethyl)pyridine;E 4031;E-4031

Suppliers and Price of N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
E-4031 dihydrochloride
10mg
$ 466.00

Tocris
E-4031dihydrochloride ≥98%(HPLC)
50
$ 862.00

Tocris
E-4031dihydrochloride ≥98%(HPLC)
10
$ 209.00

ApexBio Technology
E-4031
10mg
$ 110.00

American Custom Chemicals Corporation
N-(4-(1-(2-(6-METHYLPYRIDIN-2-YL)ETHYL)PIPERIDINE-4-CARBONYL)PHENYL)METHANESULFONAMIDE 95.00%
5MG
$ 496.02

Total 8 raw suppliers

Chemical Property of N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

Chemical Property:

Vapor Pressure:1.21E-12mmHg at 25°C
Boiling Point:561.7°Cat760mmHg
PKA:7.11±0.10(Predicted)
Flash Point:293.5°C
PSA：106.21000
Density:1.243g/cm³
LogP:5.46600
Storage Temp.:RT
Solubility.:Soluble in DMSO (up to 25 mg/ml) or in Water (up to 100 mg/ml).
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:401.17731291
Heavy Atom Count:28
Complexity:603

Purity/Quality:

98% ^*data from raw suppliers

E-4031 dihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C
Description E-4031 (113558-89-7) is a selective hERG potassium channel blocker. Inhibits the rapid delayed-rectifier K+ current (IKr). Class III antiarrhythmic agent. Cell permeable.

Technology Process of N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

There total 5 articles about N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

: 1122-70-9
2-methyl-6-vinylpyridine

: 113559-02-7
N-[4-(4-piperidinyl-carbonyl)phenyl]-methanesulfonamide monohydrochloride

: 113558-89-7
E-4031

Guidance literature:: With sodium acetate; In methanol; water;
DOI:10.1021/jm00165a003

Reference yield:

: 1197-22-4
N-phenylmethanesulfonamide

: 113558-89-7
E-4031

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / AlCl₃ / CH₂Cl₂

2: 84 percent / 3 N HCl

3: 81 percent / CH₃CO₂Na / methanol; H₂O

With hydrogenchloride; aluminium trichloride; sodium acetate; In methanol; dichloromethane; water;
DOI:10.1021/jm00165a003

Reference yield:

: 113558-94-4
1-acetyl-4-(4-methylsulfonylaminobenzoyl)piperidine

: 113558-89-7
E-4031

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / 3 N HCl

2: 81 percent / CH₃CO₂Na / methanol; H₂O

With hydrogenchloride; sodium acetate; In methanol; water;
DOI:10.1021/jm00165a003