E013-1319 Screening compound: 5-(4-chlorophenyl)-4-methyl-3-[(2-phenylpropyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

E013-1319 Screening compound: 5-(4-chlorophenyl)-4-methyl-3-[(2-phenylpropyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione
E013-1319 Screening compound: 5-(4-chlorophenyl)-4-methyl-3-[(2-phenylpropyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1319
5-(4-chlorophenyl)-4-methyl-3-[(2-phenylpropyl)amino]-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

E013-1319

Molecular Formula

C19H19ClN2O2S (C19 H19 ClN2 O2 S)

Compound Name

5-(4-chlorophenyl)-4-methyl-3-[(2-phenylpropyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

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

SMILES

CC(CNC(C(C)=C1c(cc2)ccc2Cl)=NS1(=O)=O)c1ccccc1

InChI

InChI=1S/C19H19ClN2O2S/c1-13(15-6-4-3-5-7-15)12-21-19-14(2)18(25(23,24)22-19)16-8-10-17(20)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,22)/t13-/m0/s1

InChI Key

ROYGYRVSYPJXAG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14837423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-5.01

Polar Surface Area

52.166

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

E013-1319 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 E013-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1319?
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What is the minimum amount of E013-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1319
  • 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 E013-1319 available by request