CAS RN 113559-13-0

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Tocris E-4031 dihydrochloride, Tocris Bioscience™

CAS: 113559-13-0 Molecular Formula: C21H29Cl2N3O3S Molecular Weight (g/mol): 474.44 MDL Number: MFCD01754739 InChI Key: ZQBNWMFBOSOOLX-UHFFFAOYSA-N Synonym: e-4031 dihydrochloride,1-2-6-methyl-2-pyridyl ethyl-4-4-methylsulfonylaminobenzoyl piperidine dihydrochloride,methanesulfonamide, n-4-1-2-6-methyl-2-pyridinyl ethyl-4-piperidinyl carbonyl phenyl-,dihydrochloride,n-4-1-2-6-methyl-2-pyridinyl ethyl-4-piperidinyl carbonyl phenyl methanesulfonamide dihydrochloride,n-4-1-2-6-methylpyridin-2-yl ethyl piperidine-4-carbonyl phenyl methanesulfonamide dihydrochloride,e-4031 free,c21h27n3o3s.2clh PubChem CID: 3087190 IUPAC Name: dihydrogen N-(4-{1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl}phenyl)methanesulfonamide dichloride SMILES: [H+].[H+].[Cl-].[Cl-].CC1=CC=CC(CCN2CCC(CC2)C(=O)C2=CC=C(NS(C)(=O)=O)C=C2)=N1

Pricing and Availability
Specifications

PubChem CID	3087190
CAS	113559-13-0
Molecular Weight (g/mol)	474.44
MDL Number	MFCD01754739
SMILES	[H+].[H+].[Cl-].[Cl-].CC1=CC=CC(CCN2CCC(CC2)C(=O)C2=CC=C(NS(C)(=O)=O)C=C2)=N1
Synonym	e-4031 dihydrochloride,1-2-6-methyl-2-pyridyl ethyl-4-4-methylsulfonylaminobenzoyl piperidine dihydrochloride,methanesulfonamide, n-4-1-2-6-methyl-2-pyridinyl ethyl-4-piperidinyl carbonyl phenyl-,dihydrochloride,n-4-1-2-6-methyl-2-pyridinyl ethyl-4-piperidinyl carbonyl phenyl methanesulfonamide dihydrochloride,n-4-1-2-6-methylpyridin-2-yl ethyl piperidine-4-carbonyl phenyl methanesulfonamide dihydrochloride,e-4031 free,c21h27n3o3s.2clh
IUPAC Name	dihydrogen N-(4-{1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl}phenyl)methanesulfonamide dichloride
InChI Key	ZQBNWMFBOSOOLX-UHFFFAOYSA-N
Molecular Formula	C21H29Cl2N3O3S

Medchem Express E-4031, MedChemExpress

MedChemExpress E-4031 is a selective hERG potassium channel blocker for use in class III anti-arrhythmic studies.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	474.44
Color	Off-White
Physical Form	Solid
Chemical Name or Material	E-4031
Grade	Research
SMILES	CS(=O)(NC1=CC=C(C(C2CCN(CCC3=NC(C)=CC=C3)CC2)=O)C=C1)=O.[H]Cl.[H]Cl
For Use With (Application)	COVID-19-immunoregulation
Percent Purity	96.2%
CAS	113559-13-0
Solubility Information	H2O : ≥ 50 mg/mL (105.39 mM)
Purity Grade Notes	Research
Recommended Storage	4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life	4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula	C₂₁H₂₉Cl₂N₃O₃S
Formula Weight	474.44

CAS RN 113559-13-0

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