4032-1411 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

4032-1411 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
4032-1411 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1411
(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)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

4032-1411

Molecular Formula

C25H20ClNO4S (C25 H20 ClNO4 S)

Compound Name

(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-[(4-chlorophenyl)methyl]-13-thiazolidine-24-dione

SMILES

COc(cc(/C=C(/C(N1Cc(cc2)ccc2Cl)=O)\SC1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H20ClNO4S/c1-30-22-13-19(9-12-21(22)31-16-18-5-3-2-4-6-18)14-23-24(28)27(25(29)32-23)15-17-7-10-20(26)11-8-17/h2-14H,15-16H2,1H3

InChI Key

PNLLEDSXQOKVNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.993

Water Solubility, LogSw

-6.23

Polar Surface Area

44.540

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4032-1411 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4032-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1411?
Check Price and Availability of 4032-1411, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4032-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1411
  • 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 4032-1411 available by request