E013-1576 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-1576 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-1576 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-1576
3-(5-chloro-2,4-dimethoxyanilino)-5-(4-methoxyphenyl)-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

E013-1576

Molecular Formula

C19H19ClN2O5S (C19 H19 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(c(OC)c1)cc(Cl)c1OC)=N1)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C19H19ClN2O5S/c1-11-18(12-5-7-13(25-2)8-6-12)28(23,24)22-19(11)21-15-9-14(20)16(26-3)10-17(15)27-4/h5-10H,1-4H3,(H,21,22)

InChI Key

XEGIKIHZMAIITC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-4.51

Polar Surface Area

72.951

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E013-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-1576?
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What is the minimum amount of E013-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-1576
  • 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 E013-1576 available by request