E013-0485 Screening compound: 5-(3,4-dimethylphenyl)-3-(4-fluoro-2-methylanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-0485 Screening compound: 5-(3,4-dimethylphenyl)-3-(4-fluoro-2-methylanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-0485 Screening compound: 5-(3,4-dimethylphenyl)-3-(4-fluoro-2-methylanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-0485
5-(3,4-dimethylphenyl)-3-(4-fluoro-2-methylanilino)-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

E013-0485

Molecular Formula

C19H19FN2O2S (C19 H19 FN2 O2 S)

Compound Name

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

IUPAC name

5-(34-dimethylphenyl)-3-[(4-fluoro-2-methylphenyl)amino]-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc(cc1)c(C)cc1F)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C19H19FN2O2S/c1-11-5-6-15(9-12(11)2)18-14(4)19(22-25(18,23)24)21-17-8-7-16(20)10-13(17)3/h5-10H,1-4H3,(H,21,22)

InChI Key

RGGDYTOMKZDCDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

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

4.599

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.34

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E013-0485 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 E013-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-0485?
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What is the minimum amount of E013-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-0485
  • 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 E013-0485 available by request