E013-1259 Screening compound: 5-(4-chlorophenyl)-3-(2,4-dimethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1259 Screening compound: 5-(4-chlorophenyl)-3-(2,4-dimethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1259 Screening compound: 5-(4-chlorophenyl)-3-(2,4-dimethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1259
5-(4-chlorophenyl)-3-(2,4-dimethoxyanilino)-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

E013-1259

Molecular Formula

C18H17ClN2O4S (C18 H17 ClN2 O4 S)

Compound Name

5-(4-chlorophenyl)-3-(2,4-dimethoxyanilino)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(4-chlorophenyl)-3-[(24-dimethoxyphenyl)amino]-4-methyl-1lambda62-thiazole-11-dione

SMILES

CC(C(Nc(ccc(OC)c1)c1OC)=N1)=C(c(cc2)ccc2Cl)S1(=O)=O

InChI

InChI=1S/C18H17ClN2O4S/c1-11-17(12-4-6-13(19)7-5-12)26(22,23)21-18(11)20-15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,20,21)

InChI Key

ILDHHBNSSDTGEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.67

Polar Surface Area

65.321

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with E013-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1259?
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What is the minimum amount of E013-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1259
  • 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 E013-1259 available by request