E013-0385 Screening compound: 3-(benzylamino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-0385 Screening compound: 3-(benzylamino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-0385 Screening compound: 3-(benzylamino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-0385
3-(benzylamino)-5-(3,4-dimethylphenyl)-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

E013-0385

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

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

IUPAC name

3-(benzylamino)-5-(34-dimethylphenyl)-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(NCc1ccccc1)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C19H20N2O2S/c1-13-9-10-17(11-14(13)2)18-15(3)19(21-24(18,22)23)20-12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)

InChI Key

WSHQNZVPJXNDIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-3.94

Polar Surface Area

52.166

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E013-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-0385?
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What is the minimum amount of E013-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-0385
  • 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 E013-0385 available by request