E912-0456 Screening compound: N-(2,6-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E912-0456 Screening compound: N-(2,6-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E912-0456 Screening compound: N-(2,6-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0456
N-(2,6-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E912-0456

Molecular Formula

C21H24N2O4S2 (C21 H24 N2 O4 S2)

Compound Name

N-(2,6-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-(26-dimethylphenyl)-2-methyl-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CC(CS(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)C(Nc1c(C)cccc1C)=O

InChI

InChI=1S/C21H24N2O4S2/c1-12-6-5-7-13(2)19(12)23-20(24)14(3)11-29(26,27)16-8-9-18-17(10-16)22-21(25)15(4)28-18/h5-10,14-15H,11H2,1-4H3,(H,22,25)(H,23,24)

InChI Key

BRMYDBOYOGWNND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.20

Polar Surface Area

75.848

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E912-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0456?
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What is the minimum amount of E912-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0456
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E912-0456 available by request