3584-0458 Screening compound: (5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0458 Screening compound: (5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0458 Screening compound: (5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0458
(5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)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

3584-0458

Molecular Formula

C21H21NO4S2 (C21 H21 NO4 S2)

Compound Name

(5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1cccc(OCCOCCOc2cccc(/C=C(\C(N3)=O)/SC3=S)c2)c1

InChI

InChI=1S/C21H21NO4S2/c1-15-4-2-6-17(12-15)25-10-8-24-9-11-26-18-7-3-5-16(13-18)14-19-20(23)22-21(27)28-19/h2-7,12-14H,8-11H2,1H3,(H,22,23,27)

InChI Key

JMCJGKLISCBWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-3.65

Polar Surface Area

47.736

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3584-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0458?
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What is the minimum amount of 3584-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0458
  • 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 3584-0458 available by request