1682-8539 Screening compound: (2E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

1682-8539 Screening compound: (2E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
1682-8539 Screening compound: (2E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8539
(2E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

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

1682-8539

Molecular Formula

C12H9ClN2OS (C12 H9 ClN2 OS)

Compound Name

(2E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

IUPAC name

(2E)-3-(4-chlorophenyl)-N-(13-thiazol-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1Cl)Nc1nccs1

InChI

InChI=1S/C12H9ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-8H,(H,14,15,16)

InChI Key

ZKCTVUIHLQBAJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.36

Polar Surface Area

33.595

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1682-8539 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1682-8539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8539?
Check Price and Availability of 1682-8539, 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 1682-8539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8539
  • 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 1682-8539 available by request