1806-0029 Screening compound: (2E,5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one

1806-0029 Screening compound: (2E,5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one
1806-0029 Screening compound: (2E,5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1806-0029
(2E,5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-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

1806-0029

Molecular Formula

C21H16N2OS (C21 H16 N2 OS)

Compound Name

(2E,5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2E5Z)-5-[(4-methylphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-13-thiazolidin-4-one

SMILES

Cc1ccc(/C=C(/C(N2)=O)\S/C2=N/c2cc3ccccc3cc2)cc1

InChI

InChI=1S/C21H16N2OS/c1-14-6-8-15(9-7-14)12-19-20(24)23-21(25-19)22-18-11-10-16-4-2-3-5-17(16)13-18/h2-13H,1H3,(H,22,23,24)

InChI Key

STMONKONLHGOSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01077231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.86

Polar Surface Area

32.881

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1806-0029 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1806-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1806-0029?
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What is the minimum amount of 1806-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1806-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1806-0029
  • 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 1806-0029 available by request