3584-0691 Screening compound: 2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

3584-0691 Screening compound: 2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
3584-0691 Screening compound: 2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0691
2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

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

3584-0691

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

IUPAC name

2-[(2-ethoxy-4-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

SMILES

CCOc(cc(/C=C(\C(N1CC=C)=O)/SC1=S)cc1)c1OCc(cccc1)c1C#N

InChI

InChI=1S/C23H20N2O3S2/c1-3-11-25-22(26)21(30-23(25)29)13-16-9-10-19(20(12-16)27-4-2)28-15-18-8-6-5-7-17(18)14-24/h3,5-10,12-13H,1,4,11,15H2,2H3

InChI Key

SILQXMFOVXPMPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.27

Polar Surface Area

48.273

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3584-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0691?
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What is the minimum amount of 3584-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0691
  • 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 3584-0691 available by request