1588-0142 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1588-0142 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1588-0142 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0142
(5E)-3-(4-methoxyphenyl)-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-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

1588-0142

Molecular Formula

C16H12N2O2S2 (C16 H12 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(/C(/S1)=C\c2cnccc2)=O)C1=S

InChI

InChI=1S/C16H12N2O2S2/c1-20-13-6-4-12(5-7-13)18-15(19)14(22-16(18)21)9-11-3-2-8-17-10-11/h2-10H,1H3

InChI Key

PQEZQIJHCYNLMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-2.84

Polar Surface Area

32.892

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1588-0142 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1588-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0142?
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What is the minimum amount of 1588-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0142
  • 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 1588-0142 available by request