E013-0407 Screening compound: 3-(2,6-dimethylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-0407 Screening compound: 3-(2,6-dimethylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-0407 Screening compound: 3-(2,6-dimethylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-0407
3-(2,6-dimethylanilino)-5-(3,4-dimethylphenyl)-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

E013-0407

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

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

IUPAC name

5-(34-dimethylphenyl)-3-[(26-dimethylphenyl)amino]-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc1c(C)cccc1C)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C20H22N2O2S/c1-12-9-10-17(11-15(12)4)19-16(5)20(22-25(19,23)24)21-18-13(2)7-6-8-14(18)3/h6-11H,1-5H3,(H,21,22)

InChI Key

GNTRXBIITYPYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.40

Polar Surface Area

49.449

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E013-0407 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E013-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-0407?
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What is the minimum amount of E013-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-0407
  • 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 E013-0407 available by request