E013-3223 Screening compound: 3-[(3,4-dimethoxyphenethyl)amino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3223 Screening compound: 3-[(3,4-dimethoxyphenethyl)amino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3223 Screening compound: 3-[(3,4-dimethoxyphenethyl)amino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3223
3-[(3,4-dimethoxyphenethyl)amino]-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

E013-3223

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

3-{[2-(34-dimethoxyphenyl)ethyl]amino}-4-methyl-5-phenyl-1lambda62-thiazole-11-dione

SMILES

CC(C(NCCc(cc1)cc(OC)c1OC)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-14-19(16-7-5-4-6-8-16)27(23,24)22-20(14)21-12-11-15-9-10-17(25-2)18(13-15)26-3/h4-10,13H,11-12H2,1-3H3,(H,21,22)

InChI Key

FDOPBTKKSZZGIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.81

Polar Surface Area

67.269

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E013-3223 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 E013-3223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3223?
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What is the minimum amount of E013-3223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3223
  • 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 E013-3223 available by request