E013-3365 Screening compound: 3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3365 Screening compound: 3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3365 Screening compound: 3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)-4-methyl-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3365
3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)-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

E013-3365

Molecular Formula

C23H27FN4O2S (C23 H27 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H27FN4O2S/c1-18-22(19-6-3-2-4-7-19)31(29,30)26-23(18)25-12-5-13-27-14-16-28(17-15-27)21-10-8-20(24)9-11-21/h2-4,6-11H,5,12-17H2,1H3,(H,25,26)

InChI Key

HFLOTUJLPXDJDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.32

Polar Surface Area

59.251

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E013-3365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3365?
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What is the minimum amount of E013-3365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3365
  • 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 E013-3365 available by request