3229-0702 Screening compound: 4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

3229-0702 Screening compound: 4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate
3229-0702 Screening compound: 4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0702
4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 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

3229-0702

Molecular Formula

C25H19NO4S2 (C25 H19 NO4 S2)

Compound Name

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

IUPAC name

4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

SMILES

COc(cc(/C=C(\C(N1Cc2ccccc2)=O)/SC1=S)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C25H19NO4S2/c1-29-21-14-18(12-13-20(21)30-24(28)19-10-6-3-7-11-19)15-22-23(27)26(25(31)32-22)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3

InChI Key

SHJXNJQBXPHKGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01335236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.46

Polar Surface Area

44.537

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 3229-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0702?
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What is the minimum amount of 3229-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0702
  • 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 3229-0702 available by request