E013-2915 Screening compound: 3-(3-chloro-2-methylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-2915 Screening compound: 3-(3-chloro-2-methylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-2915 Screening compound: 3-(3-chloro-2-methylanilino)-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-2915
3-(3-chloro-2-methylanilino)-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

E013-2915

Molecular Formula

C20H21ClN2O2S (C20 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1C1=C(C)C(Nc2cccc(Cl)c2C)=NS1(=O)=O

InChI

InChI=1S/C20H21ClN2O2S/c1-12(2)15-8-10-16(11-9-15)19-14(4)20(23-26(19,24)25)22-18-7-5-6-17(21)13(18)3/h5-12H,1-4H3,(H,22,23)

InChI Key

LBLZAWYHCTXNPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.92

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

5.804

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-6.26

Polar Surface Area

50.147

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E013-2915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-2915?
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What is the minimum amount of E013-2915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-2915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-2915
  • 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 E013-2915 available by request