2189-0878 Screening compound: 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

2189-0878 Screening compound: 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
2189-0878 Screening compound: 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-0878
4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

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

2189-0878

Molecular Formula

C14H12ClNO3S2 (C14 H12 ClNO3 S2)

Compound Name

4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

IUPAC name

4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanoic acid

SMILES

OC(CCCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)=O

InChI

InChI=1S/C14H12ClNO3S2/c15-10-5-2-1-4-9(10)8-11-13(19)16(14(20)21-11)7-3-6-12(17)18/h1-2,4-5,8H,3,6-7H2,(H,17,18)

InChI Key

UVPVSGRBWTYETN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

-0.207

Water Solubility, LogSw

-2.99

Polar Surface Area

45.076

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 2189-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-0878?
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What is the minimum amount of 2189-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-0878
  • 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 2189-0878 available by request