8014-7779 Screening compound: 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione

8014-7779 Screening compound: 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
8014-7779 Screening compound: 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7779
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-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

8014-7779

Molecular Formula

C20H13ClN2O3S2 (C20 H13 ClN2 O3 S2)

Compound Name

3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-1-phenylpyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(C(/C(/S2)=C/c(cc3)ccc3Cl)=O)C2=S)N1c1ccccc1

InChI

InChI=1S/C20H13ClN2O3S2/c21-13-8-6-12(7-9-13)10-16-19(26)23(20(27)28-16)15-11-17(24)22(18(15)25)14-4-2-1-3-5-14/h1-10,15H,11H2/t15-/m0/s1

InChI Key

CTFQRIJYJLCGSB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03670130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.71

Polar Surface Area

44.128

Acid Dissociation Constant (pKa)

18.23

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

8014-7779 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-7779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7779?
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What is the minimum amount of 8014-7779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7779
  • 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 8014-7779 available by request