E013-1546 Screening compound: 3-(2-benzoylanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1546 Screening compound: 3-(2-benzoylanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1546 Screening compound: 3-(2-benzoylanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1546
3-(2-benzoylanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

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

E013-1546

Molecular Formula

C24H20N2O4S (C24 H20 N2 O4 S)

Compound Name

3-(2-benzoylanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[(2-benzoylphenyl)amino]-5-(4-methoxyphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc(cccc1)c1C(c1ccccc1)=O)=N1)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C24H20N2O4S/c1-16-23(18-12-14-19(30-2)15-13-18)31(28,29)26-24(16)25-21-11-7-6-10-20(21)22(27)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,26)

InChI Key

HHQJAGHLFNZOLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.35

Polar Surface Area

71.157

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E013-1546 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E013-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1546?
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What is the minimum amount of E013-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1546
  • 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 E013-1546 available by request