1988-1579 Screening compound: 2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide

1988-1579 Screening compound: 2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide
1988-1579 Screening compound: 2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1579
2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide

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

1988-1579

Molecular Formula

C19H17N3O5S (C19 H17 N3 O5 S)

Compound Name

2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide

IUPAC name

2-[(5Z)-5-[(34-dimethoxyphenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]-N-(pyridin-3-yl)acetamide

SMILES

COc(ccc(/C=C(/C(N1CC(Nc2cnccc2)=O)=O)\SC1=O)c1)c1OC

InChI

InChI=1S/C19H17N3O5S/c1-26-14-6-5-12(8-15(14)27-2)9-16-18(24)22(19(25)28-16)11-17(23)21-13-4-3-7-20-10-13/h3-10H,11H2,1-2H3,(H,21,23)

InChI Key

LUZJKQYECCXQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.53

Polar Surface Area

77.524

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1988-1579 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1988-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1579
  • 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 1988-1579 available by request