E013-1929 Screening compound: 5-(3-bromophenyl)-3-(4-ethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1929 Screening compound: 5-(3-bromophenyl)-3-(4-ethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1929 Screening compound: 5-(3-bromophenyl)-3-(4-ethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1929
5-(3-bromophenyl)-3-(4-ethoxyanilino)-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

E013-1929

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

5-(3-bromophenyl)-3-(4-ethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(3-bromophenyl)-3-[(4-ethoxyphenyl)amino]-4-methyl-1lambda62-thiazole-11-dione

SMILES

CCOc(cc1)ccc1NC(C(C)=C1c2cccc(Br)c2)=NS1(=O)=O

InChI

InChI=1S/C18H17BrN2O3S/c1-3-24-16-9-7-15(8-10-16)20-18-12(2)17(25(22,23)21-18)13-5-4-6-14(19)11-13/h4-11H,3H2,1-2H3,(H,20,21)

InChI Key

OCKGDMGUXYPGHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.33

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E013-1929 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 E013-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1929?
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What is the minimum amount of E013-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1929
  • 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 E013-1929 available by request