3584-0341 Screening compound: (5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0341 Screening compound: (5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0341 Screening compound: (5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0341
(5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)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

3584-0341

Molecular Formula

C21H21NO3S2 (C21 H21 NO3 S2)

Compound Name

(5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-ethyl-5-{[3-methoxy-4-(1-phenylethoxy)phenyl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c(cc2)cc(OC)c2OC(C)c2ccccc2)=O)C1=S

InChI

InChI=1S/C21H21NO3S2/c1-4-22-20(23)19(27-21(22)26)13-15-10-11-17(18(12-15)24-3)25-14(2)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3/t14-/m0/s1

InChI Key

NBOQIAAWBJSLBI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02120552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-4.61

Polar Surface Area

30.673

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3584-0341 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3584-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0341?
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What is the minimum amount of 3584-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0341
  • 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 3584-0341 available by request