E013-3150 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

E013-3150 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione
E013-3150 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3150
3-[4-(2-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

E013-3150

Molecular Formula

C23H26FN3O2S (C23 H26 FN3 O2 S)

Compound Name

3-[4-(2-fluorophenyl)piperazino]-5-(4-isopropylphenyl)-4-methyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-[4-(2-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(cccc2)c2F)=NS1(=O)=O

InChI

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

InChI Key

MCPIAWHROAFKEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837845

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

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-4.91

Polar Surface Area

46.090

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E013-3150 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E013-3150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3150?
Check Price and Availability of E013-3150, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E013-3150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3150
  • 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 E013-3150 available by request