3229-0333 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

3229-0333 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate
3229-0333 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0333
4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

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

3229-0333

Molecular Formula

C23H12Cl3NO3S2 (C23 H12 Cl3 NO3 S2)

Compound Name

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

IUPAC name

4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=C(\C(N2c3cc(Cl)ccc3)=O)/SC2=S)cc1

InChI

InChI=1S/C23H12Cl3NO3S2/c24-14-2-1-3-16(11-14)27-21(28)20(32-23(27)31)10-13-4-7-17(8-5-13)30-22(29)18-9-6-15(25)12-19(18)26/h1-12H

InChI Key

GUHSHLNNWGKQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.139

Distribution Coefficient, logD

7.139

Water Solubility, LogSw

-6.82

Polar Surface Area

36.209

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3229-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0333?
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What is the minimum amount of 3229-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0333
  • 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 3229-0333 available by request