E013-3142 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3142 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3142 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3142
3-[4-(4-fluorophenyl)piperazino]-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

E013-3142

Molecular Formula

C23H26FN3O2S (C23 H26 FN3 O2 S)

Compound Name

3-[4-(4-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[4-(propan-2-yl)phenyl]-1lambda62-thiazole-11-dione

SMILES

CC(C)c(cc1)ccc1C1=C(C)C(N(CC2)CCN2c(cc2)ccc2F)=NS1(=O)=O

InChI

InChI=1S/C23H26FN3O2S/c1-16(2)18-4-6-19(7-5-18)22-17(3)23(25-30(22,28)29)27-14-12-26(13-15-27)21-10-8-20(24)9-11-21/h4-11,16H,12-15H2,1-3H3

InChI Key

IVXPSFZQMJOBRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.62

Polar Surface Area

46.391

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E013-3142 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E013-3142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3142?
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What is the minimum amount of E013-3142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3142
  • 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 E013-3142 available by request