2189-0536 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

2189-0536 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
2189-0536 Screening compound: 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-0536
3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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

2189-0536

Molecular Formula

C13H10BrNO3S2 (C13 H10 BrNO3 S2)

Compound Name

3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

OC(CCN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)=O

InChI

InChI=1S/C13H10BrNO3S2/c14-9-3-1-2-8(6-9)7-10-12(18)15(13(19)20-10)5-4-11(16)17/h1-3,6-7H,4-5H2,(H,16,17)

InChI Key

LNSRBGSDKMPINU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

-0.091

Water Solubility, LogSw

-2.53

Polar Surface Area

45.076

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2189-0536 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 2189-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-0536?
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What is the minimum amount of 2189-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-0536
  • 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 2189-0536 available by request