E013-3469 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3469 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3469 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3469
3-[4-(4-fluorophenyl)piperazino]-4-methyl-5-phenyl-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

E013-3469

Molecular Formula

C20H20FN3O2S (C20 H20 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCN1c(cc1)ccc1F)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C20H20FN3O2S/c1-15-19(16-5-3-2-4-6-16)27(25,26)22-20(15)24-13-11-23(12-14-24)18-9-7-17(21)8-10-18/h2-10H,11-14H2,1H3

InChI Key

PDYAZAJEZSJEEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

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

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.64

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 E013-3469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3469?
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What is the minimum amount of E013-3469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3469
  • 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 E013-3469 available by request