8011-4209 Screening compound: 2-(5-{[(5Z)-3-(2,5-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

8011-4209 Screening compound: 2-(5-{[(5Z)-3-(2,5-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
8011-4209 Screening compound: 2-(5-{[(5Z)-3-(2,5-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4209
2-(5-{[(5Z)-3-(2,5-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic 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

8011-4209

Molecular Formula

C23H18N2O4S (C23 H18 N2 O4 S)

Compound Name

2-(5-{[(5Z)-3-(2,5-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-(5-{[(5Z)-3-(25-dimethylphenyl)-2-imino-4-oxo-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

Cc1cc(N(C(/C(/S2)=C/c3ccc(-c(cccc4)c4C(O)=O)o3)=O)C2=N)c(C)cc1

InChI

InChI=1S/C23H18N2O4S/c1-13-7-8-14(2)18(11-13)25-21(26)20(30-23(25)24)12-15-9-10-19(29-15)16-5-3-4-6-17(16)22(27)28/h3-12,24H,1-2H3,(H,27,28)

InChI Key

UNELMGUYQOCWST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

0.849

Water Solubility, LogSw

-4.30

Polar Surface Area

69.046

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-12.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8011-4209 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 8011-4209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4209?
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What is the minimum amount of 8011-4209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4209
  • 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 8011-4209 available by request