E013-2488 Screening compound: 5-(3-chlorophenyl)-3-[4-(4-fluorophenyl)piperazino]-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-2488 Screening compound: 5-(3-chlorophenyl)-3-[4-(4-fluorophenyl)piperazino]-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-2488 Screening compound: 5-(3-chlorophenyl)-3-[4-(4-fluorophenyl)piperazino]-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-2488
5-(3-chlorophenyl)-3-[4-(4-fluorophenyl)piperazino]-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

E013-2488

Molecular Formula

C20H19ClFN3O2S (C20 H19 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCN1c(cc1)ccc1F)=N1)=C(c2cccc(Cl)c2)S1(=O)=O

InChI

InChI=1S/C20H19ClFN3O2S/c1-14-19(15-3-2-4-16(21)13-15)28(26,27)23-20(14)25-11-9-24(10-12-25)18-7-5-17(22)6-8-18/h2-8,13H,9-12H2,1H3

InChI Key

UZQNZAJBBDMMNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.58

Polar Surface Area

46.391

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E013-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-2488?
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What is the minimum amount of E013-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-2488
  • 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 E013-2488 available by request