2187-1238 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile

2187-1238 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
2187-1238 Screening compound: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1238
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-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

2187-1238

Molecular Formula

C16H9FN2OS (C16 H9 FN2 OS)

Compound Name

(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile

IUPAC name

(2Z)-2-(13-benzothiazol-2-yl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2s1)=C(\c(cc1)ccc1F)/O

InChI

InChI=1S/C16H9FN2OS/c17-11-7-5-10(6-8-11)15(20)12(9-18)16-19-13-3-1-2-4-14(13)21-16/h1-8,20H

InChI Key

YHWNGRNKSPDOCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-4.20

Polar Surface Area

43.294

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2187-1238 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2187-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1238?
Check Price and Availability of 2187-1238, 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 2187-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1238
  • 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 2187-1238 available by request