2189-0969 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide

2189-0969 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
2189-0969 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-0969
2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide

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

2189-0969

Molecular Formula

C18H13ClN2O4S (C18 H13 ClN2 O4 S)

Compound Name

2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide

IUPAC name

2-[(5E)-5-[(4-chlorophenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide

SMILES

Oc(cc1)ccc1NC(CN(C(/C(/S1)=C\c(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C18H13ClN2O4S/c19-12-3-1-11(2-4-12)9-15-17(24)21(18(25)26-15)10-16(23)20-13-5-7-14(22)8-6-13/h1-9,22H,10H2,(H,20,23)

InChI Key

LMDCMTQKMVIYNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-4.28

Polar Surface Area

70.362

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2189-0969 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2189-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-0969?
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What is the minimum amount of 2189-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-0969
  • 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 2189-0969 available by request