E912-0495 Screening compound: 2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-methylphenyl)propanamide

E912-0495 Screening compound: 2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-methylphenyl)propanamide
E912-0495 Screening compound: 2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0495
2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-methylphenyl)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

E912-0495

Molecular Formula

C20H22N2O4S2 (C20 H22 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)C(Nc1c(C)cccc1)=O

InChI

InChI=1S/C20H22N2O4S2/c1-12-6-4-5-7-16(12)21-19(23)13(2)11-28(25,26)15-8-9-18-17(10-15)22-20(24)14(3)27-18/h4-10,13-14H,11H2,1-3H3,(H,21,23)(H,22,24)

InChI Key

LLXLXVZPGVJEFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

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

2.597

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-3.07

Polar Surface Area

76.546

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E912-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0495?
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What is the minimum amount of E912-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0495
  • 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 E912-0495 available by request