3584-0106 Screening compound: (5E)-5-{[2-(benzyloxy)phenyl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0106 Screening compound: (5E)-5-{[2-(benzyloxy)phenyl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0106 Screening compound: (5E)-5-{[2-(benzyloxy)phenyl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0106
(5E)-5-{[2-(benzyloxy)phenyl]methylidene}-3-methyl-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

3584-0106

Molecular Formula

C18H15NO2S2 (C18 H15 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C(/C(/S1)=C\c(cccc2)c2OCc2ccccc2)=O)C1=S

InChI

InChI=1S/C18H15NO2S2/c1-19-17(20)16(23-18(19)22)11-14-9-5-6-10-15(14)21-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3

InChI Key

WDQMCYRBECGYCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01155896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.66

Polar Surface Area

23.794

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3584-0106 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 3584-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0106?
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What is the minimum amount of 3584-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0106
  • 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 3584-0106 available by request