3324-0943 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)acetamide

3324-0943 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)acetamide
3324-0943 Screening compound: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0943
2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(pyridin-2-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

3324-0943

Molecular Formula

C20H19N3O5S2 (C20 H19 N3 O5 S2)

Compound Name

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)acetamide

IUPAC name

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]-N-(pyridin-2-yl)acetamide

SMILES

COc1cc(/C=C(/C(N2CC(Nc3ncccc3)=O)=O)\SC2=S)cc(OC)c1OC

InChI

InChI=1S/C20H19N3O5S2/c1-26-13-8-12(9-14(27-2)18(13)28-3)10-15-19(25)23(20(29)30-15)11-17(24)22-16-6-4-5-7-21-16/h4-10H,11H2,1-3H3,(H,21,22,24)

InChI Key

LCVIWWHFWPQXPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.37

Polar Surface Area

72.185

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3324-0943 in Drug Discovery

Included in Screening Libraries

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

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 3324-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3324-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0943
  • 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 3324-0943 available by request