1809-0014 Screening compound: (2Z,5Z)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one

1809-0014 Screening compound: (2Z,5Z)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one
1809-0014 Screening compound: (2Z,5Z)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0014
(2Z,5Z)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-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

1809-0014

Molecular Formula

C31H24Cl2N2O2S (C31 H24 Cl2 N2 O2 S)

Compound Name

(2Z,5Z)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one

IUPAC name

(2Z5Z)-5-({4-[(24-dichlorophenyl)methoxy]phenyl}methylidene)-2-[(26-dimethylphenyl)imino]-3-phenyl-13-thiazolidin-4-one

SMILES

Cc1cccc(C)c1/N=C(/N(C1=O)c2ccccc2)\S/C1=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C31H24Cl2N2O2S/c1-20-7-6-8-21(2)29(20)34-31-35(25-9-4-3-5-10-25)30(36)28(38-31)17-22-11-15-26(16-12-22)37-19-23-13-14-24(32)18-27(23)33/h3-18H,19H2,1-2H3

InChI Key

UOIFABQTTWNQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.282

Distribution Coefficient, logD

8.282

Water Solubility, LogSw

-6.48

Polar Surface Area

30.085

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

1809-0014 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 1809-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0014?
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What is the minimum amount of 1809-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0014
  • 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 1809-0014 available by request