8020-2194 Screening compound: 2-[2-oxo-2-(thiophen-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

8020-2194 Screening compound: 2-[2-oxo-2-(thiophen-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
8020-2194 Screening compound: 2-[2-oxo-2-(thiophen-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2194
2-[2-oxo-2-(thiophen-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-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

8020-2194

Molecular Formula

C14H9NO3S (C14 H9 NO3 S)

Compound Name

2-[2-oxo-2-(thiophen-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-oxo-2-(thiophen-3-yl)ethyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)c1cscc1

InChI

InChI=1S/C14H9NO3S/c16-12(9-5-6-19-8-9)7-15-13(17)10-3-1-2-4-11(10)14(15)18/h1-6,8H,7H2

InChI Key

QVJUMADZRLGETQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18075336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.81

Polar Surface Area

43.757

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8020-2194 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8020-2194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2194?
Check Price and Availability of 8020-2194, 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 8020-2194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2194
  • 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 8020-2194 available by request