1682-6470 Screening compound: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

1682-6470 Screening compound: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
1682-6470 Screening compound: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6470
3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

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

1682-6470

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

IUPAC name

3-[(5E)-5-[(34-dimethoxyphenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide

SMILES

Cc(cc1)ccc1NC(CCN(C(/C(/S1)=C\c(cc2)cc(OC)c2OC)=O)C1=O)=O

InChI

InChI=1S/C22H22N2O5S/c1-14-4-7-16(8-5-14)23-20(25)10-11-24-21(26)19(30-22(24)27)13-15-6-9-17(28-2)18(12-15)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)

InChI Key

MECATYCUNYVSMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.733

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-3.87

Polar Surface Area

67.984

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

1682-6470 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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

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 1682-6470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6470?
Check Price and Availability of 1682-6470, 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 1682-6470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6470
  • 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 1682-6470 available by request