E013-3213 Screening compound: 3-(5-chloro-2-methylanilino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3213 Screening compound: 3-(5-chloro-2-methylanilino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3213 Screening compound: 3-(5-chloro-2-methylanilino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3213
3-(5-chloro-2-methylanilino)-4-methyl-5-phenyl-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

E013-3213

Molecular Formula

C17H15ClN2O2S (C17 H15 ClN2 O2 S)

Compound Name

3-(5-chloro-2-methylanilino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[(5-chloro-2-methylphenyl)amino]-4-methyl-5-phenyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc1c(C)ccc(Cl)c1)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C17H15ClN2O2S/c1-11-8-9-14(18)10-15(11)19-17-12(2)16(23(21,22)20-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)

InChI Key

SGENSPWVSWGQHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.84

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

4.011

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.45

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E013-3213 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 E013-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3213?
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What is the minimum amount of E013-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3213
  • 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 E013-3213 available by request