3584-0029 Screening compound: (5E)-3-ethyl-5-[(naphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0029 Screening compound: (5E)-3-ethyl-5-[(naphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0029 Screening compound: (5E)-3-ethyl-5-[(naphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0029
(5E)-3-ethyl-5-[(naphthalen-1-yl)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

3584-0029

Molecular Formula

C16H13NOS2 (C16 H13 NOS2)

Compound Name

(5E)-3-ethyl-5-[(naphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-ethyl-5-[(naphthalen-1-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c2cccc3ccccc23)=O)C1=S

InChI

InChI=1S/C16H13NOS2/c1-2-17-15(18)14(20-16(17)19)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,2H2,1H3

InChI Key

NQCJVKCITQKLQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.36

Polar Surface Area

16.167

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3584-0029 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 3584-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0029?
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What is the minimum amount of 3584-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0029
  • 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 3584-0029 available by request