3584-0179 Screening compound: (5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0179 Screening compound: (5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0179 Screening compound: (5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0179
(5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}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

3584-0179

Molecular Formula

C15H10ClNO2S3 (C15 H10 ClNO2 S3)

Compound Name

(5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CN(C(/C(/S1)=C\c(o2)ccc2Sc(cc2)ccc2Cl)=O)C1=S

InChI

InChI=1S/C15H10ClNO2S3/c1-17-14(18)12(22-15(17)20)8-10-4-7-13(19-10)21-11-5-2-9(16)3-6-11/h2-8H,1H3

InChI Key

BYCFNKRHHRPEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-5.01

Polar Surface Area

24.270

Acid Dissociation Constant (pKa)

34.05

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3584-0179 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3584-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0179?
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What is the minimum amount of 3584-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0179
  • 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 3584-0179 available by request