0806-0204 Screening compound: 2-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

0806-0204 Screening compound: 2-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
0806-0204 Screening compound: 2-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0204
2-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

0806-0204

Molecular Formula

C14H12N2O4S2 (C14 H12 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1ccc(/C=C(\C(N2CC(O)=O)=O)/SC2=S)cc1)=O

InChI

InChI=1S/C14H12N2O4S2/c1-8(17)15-10-4-2-9(3-5-10)6-11-13(20)16(7-12(18)19)14(21)22-11/h2-6H,7H2,1H3,(H,15,17)(H,18,19)

InChI Key

KPSZPGHEVZCTFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00650460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.447

Distribution Coefficient, logD

-2.672

Water Solubility, LogSw

-2.01

Polar Surface Area

68.360

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0806-0204 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0806-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0204?
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What is the minimum amount of 0806-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0204
  • 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 0806-0204 available by request