E594-0234 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

E594-0234 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
E594-0234 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0234
3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

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

E594-0234

Molecular Formula

C15H8N2O3S (C15 H8 N2 O3 S)

Compound Name

3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

IUPAC name

3-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]-2H-chromen-2-one

SMILES

O=C1Oc(cccc2)c2C=C1c1nc(-c2cccs2)no1

InChI

InChI=1S/C15H8N2O3S/c18-15-10(8-9-4-1-2-5-11(9)19-15)14-16-13(17-20-14)12-6-3-7-21-12/h1-8H

InChI Key

VPZBKVHRWARXMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.83

Polar Surface Area

53.584

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E594-0234 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E594-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0234?
Check Price and Availability of E594-0234, 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 E594-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0234
  • 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 E594-0234 available by request