1246-0593 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

1246-0593 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile
1246-0593 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0593
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

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

1246-0593

Molecular Formula

C18H10ClFN2S (C18 H10 ClFN2 S)

Compound Name

(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(4-chlorophenyl)-13-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1cc(F)ccc1

InChI

InChI=1S/C18H10ClFN2S/c19-15-6-4-13(5-7-15)17-11-23-18(22-17)14(10-21)8-12-2-1-3-16(20)9-12/h1-9,11H

InChI Key

SKHPQPLRELIPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.054

Distribution Coefficient, logD

6.054

Water Solubility, LogSw

-6.71

Polar Surface Area

26.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0593 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1246-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0593?
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What is the minimum amount of 1246-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0593
  • 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 1246-0593 available by request