E013-1617 Screening compound: 5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

E013-1617 Screening compound: 5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione
E013-1617 Screening compound: 5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1617
5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)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

E013-1617

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(4-methoxyphenyl)-4-methyl-3-[(1-phenylethyl)amino]-1lambda62-thiazole-11-dione

SMILES

CC(c1ccccc1)NC(C(C)=C1c(cc2)ccc2OC)=NS1(=O)=O

InChI

InChI=1S/C19H20N2O3S/c1-13-18(16-9-11-17(24-3)12-10-16)25(22,23)21-19(13)20-14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,20,21)/t14-/m0/s1

InChI Key

WQIHJAQCJDMVGB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14837506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

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

3.378

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.67

Polar Surface Area

58.873

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

E013-1617 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 E013-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1617?
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What is the minimum amount of E013-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1617
  • 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 E013-1617 available by request