1996-0122 Screening compound: (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-1,3-thiazolidin-4-one

1996-0122 Screening compound: (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-1,3-thiazolidin-4-one
1996-0122 Screening compound: (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0122
(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-1,3-thiazolidin-4-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

1996-0122

Molecular Formula

C15H11NO2S3 (C15 H11 NO2 S3)

Compound Name

(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1N(C(/C(/S1)=C/c2cscc2)=O)C1=S

InChI

InChI=1S/C15H11NO2S3/c1-18-12-4-2-11(3-5-12)16-14(17)13(21-15(16)19)8-10-6-7-20-9-10/h2-9H,1H3

InChI Key

JASIZNHLIZSZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.01

Polar Surface Area

24.393

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1996-0122 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 1996-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0122?
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What is the minimum amount of 1996-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0122
  • 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 1996-0122 available by request