4489-1466 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4489-1466 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4489-1466 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-1466
(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-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

4489-1466

Molecular Formula

C17H11BrClNO2S2 (C17 H11 BrClNO2 S2)

Compound Name

(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\c(cc(cc2)Br)c2OCc(cccc2)c2Cl)NC1=S

InChI

InChI=1S/C17H11BrClNO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)

InChI Key

KHDGYNGNTRUHKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

3.654

Water Solubility, LogSw

-4.90

Polar Surface Area

32.214

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4489-1466 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4489-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-1466?
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What is the minimum amount of 4489-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-1466
  • 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 4489-1466 available by request