1674-0003 Screening compound: 4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzaldehyde

1674-0003 Screening compound: 4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzaldehyde
1674-0003 Screening compound: 4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1674-0003
4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzaldehyde

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

1674-0003

Molecular Formula

C17H11NO3S (C17 H11 NO3 S)

Compound Name

4-{[(5Z)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzaldehyde

IUPAC name

4-{[(5Z)-24-dioxo-3-phenyl-13-thiazolidin-5-ylidene]methyl}benzaldehyde

SMILES

O=Cc1ccc(/C=C(/C(N2c3ccccc3)=O)\SC2=O)cc1

InChI

InChI=1S/C17H11NO3S/c19-11-13-8-6-12(7-9-13)10-15-16(20)18(17(21)22-15)14-4-2-1-3-5-14/h1-11H

InChI Key

GHBZCTMAQQRLKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.24

Polar Surface Area

43.143

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1674-0003 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1674-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1674-0003?
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What is the minimum amount of 1674-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1674-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1674-0003
  • 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 1674-0003 available by request