1464-0221 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate

1464-0221 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate
1464-0221 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1464-0221
4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate

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

1464-0221

Molecular Formula

C17H11NO3S2 (C17 H11 NO3 S2)

Compound Name

4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate

IUPAC name

4-{[(5E)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl benzoate

SMILES

O=C(c1ccccc1)Oc1ccc(/C=C(\C(N2)=O)/SC2=S)cc1

InChI

InChI=1S/C17H11NO3S2/c19-15-14(23-17(22)18-15)10-11-6-8-13(9-7-11)21-16(20)12-4-2-1-3-5-12/h1-10H,(H,18,19,22)

InChI Key

RDWUBPFAVCEULB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-3.29

Polar Surface Area

45.278

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1464-0221 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1464-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1464-0221?
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What is the minimum amount of 1464-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1464-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1464-0221
  • 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 1464-0221 available by request