2189-1025 Screening compound: 3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

2189-1025 Screening compound: 3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
2189-1025 Screening compound: 3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1025
3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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

2189-1025

Molecular Formula

C18H13ClN2O4S2 (C18 H13 ClN2 O4 S2)

Compound Name

3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

IUPAC name

3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

COc(cc(/C=C(/C(N1NC(c2cccc(Cl)c2)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C18H13ClN2O4S2/c1-25-14-7-10(5-6-13(14)22)8-15-17(24)21(18(26)27-15)20-16(23)11-3-2-4-12(19)9-11/h2-9,22H,1H3,(H,20,23)

InChI Key

HBMJIILFMSCLRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.56

Polar Surface Area

67.022

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2189-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1025?
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What is the minimum amount of 2189-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1025
  • 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 2189-1025 available by request