8013-9733 Screening compound: 2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide

8013-9733 Screening compound: 2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
8013-9733 Screening compound: 2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9733
2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)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

8013-9733

Molecular Formula

C19H15ClN2O3S (C19 H15 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CN(C(/C(/S2)=C\c(cccc3)c3Cl)=O)C2=O)=O)c1

InChI

InChI=1S/C19H15ClN2O3S/c1-12-5-4-7-14(9-12)21-17(23)11-22-18(24)16(26-19(22)25)10-13-6-2-3-8-15(13)20/h2-10H,11H2,1H3,(H,21,23)

InChI Key

IAVQSMPFNKLXAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03182029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.60

Polar Surface Area

52.745

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 8013-9733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9733?
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What is the minimum amount of 8013-9733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9733
  • 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 8013-9733 available by request