1588-0066 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

1588-0066 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
1588-0066 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0066
(5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-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

1588-0066

Molecular Formula

C18H12N2O2S (C18 H12 N2 O2 S)

Compound Name

(5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(1H-indol-3-yl)methylidene]-3-phenyl-13-thiazolidine-24-dione

SMILES

O=C(/C(/SC1=O)=C\c2c[nH]c3c2cccc3)N1c1ccccc1

InChI

InChI=1S/C18H12N2O2S/c21-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(22)20(17)13-6-2-1-3-7-13/h1-11,19H

InChI Key

VSHDKWGRXRFRMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.852

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.23

Polar Surface Area

38.855

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1588-0066 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1588-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0066?
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What is the minimum amount of 1588-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0066
  • 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 1588-0066 available by request