E013-2884 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-2884 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-2884 Screening compound: 3-(5-chloro-2,4-dimethoxyanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-2884
3-(5-chloro-2,4-dimethoxyanilino)-5-(4-isopropylphenyl)-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

E013-2884

Molecular Formula

C21H23ClN2O4S (C21 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

3-[(5-chloro-24-dimethoxyphenyl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1lambda62-thiazole-11-dione

SMILES

CC(C)c(cc1)ccc1C1=C(C)C(Nc(c(OC)c2)cc(Cl)c2OC)=NS1(=O)=O

InChI

InChI=1S/C21H23ClN2O4S/c1-12(2)14-6-8-15(9-7-14)20-13(3)21(24-29(20,25)26)23-17-10-16(22)18(27-4)11-19(17)28-5/h6-12H,1-5H3,(H,23,24)

InChI Key

FMZWGLAOUBTUPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-6.17

Polar Surface Area

65.407

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E013-2884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-2884?
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What is the minimum amount of E013-2884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-2884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-2884
  • 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 E013-2884 available by request