4032-1302 Screening compound: 4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

4032-1302 Screening compound: 4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
4032-1302 Screening compound: 4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1302
4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

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

4032-1302

Molecular Formula

C26H20FNO6S (C26 H20 FNO6 S)

Compound Name

4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

IUPAC name

4-[(4-{[(5Z)-3-[(4-fluorophenyl)methyl]-24-dioxo-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

SMILES

COc(cc(/C=C(/C(N1Cc(cc2)ccc2F)=O)\SC1=O)cc1)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C26H20FNO6S/c1-33-22-12-18(6-11-21(22)34-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)28(26(32)35-23)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,30,31)

InChI Key

IWXPCBSANHRWFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-5.16

Polar Surface Area

72.948

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

4032-1302 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4032-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1302?
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What is the minimum amount of 4032-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1302
  • 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 4032-1302 available by request