4032-1333 Screening compound: (5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

4032-1333 Screening compound: (5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
4032-1333 Screening compound: (5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1333
(5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-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

4032-1333

Molecular Formula

C24H16BrF2NO3S (C24 H16 BrF2 NO3 S)

Compound Name

(5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-({3-bromo-4-[(3-fluorophenyl)methoxy]phenyl}methylidene)-3-[(4-fluorophenyl)methyl]-13-thiazolidine-24-dione

SMILES

O=C(/C(/S1)=C/c(cc2)cc(Br)c2OCc2cc(F)ccc2)N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C24H16BrF2NO3S/c25-20-11-16(6-9-21(20)31-14-17-2-1-3-19(27)10-17)12-22-23(29)28(24(30)32-22)13-15-4-7-18(26)8-5-15/h1-12H,13-14H2

InChI Key

WYUZMPVBEODASY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.376

Distribution Coefficient, logD

6.376

Water Solubility, LogSw

-6.07

Polar Surface Area

36.910

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4032-1333 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 4032-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1333?
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What is the minimum amount of 4032-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1333
  • 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 4032-1333 available by request