3681-1293 Screening compound: 2-chloro-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate

3681-1293 Screening compound: 2-chloro-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate
3681-1293 Screening compound: 2-chloro-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1293
2-chloro-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate

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

3681-1293

Molecular Formula

C17H13ClN2O5S2 (C17 H13 ClN2 O5 S2)

Compound Name

2-chloro-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate

IUPAC name

2-chloro-4-{[(5Z)-2-imino-4-oxo-13-thiazolidin-5-ylidene]methyl}-6-methoxyphenyl benzenesulfonate

SMILES

COc1cc(/C=C(/C(N2)=O)\SC2=N)cc(Cl)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C17H13ClN2O5S2/c1-24-13-8-10(9-14-16(21)20-17(19)26-14)7-12(18)15(13)25-27(22,23)11-5-3-2-4-6-11/h2-9H,1H3,(H2,19,20,21)

InChI Key

ZRYIJXOVWIMVEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.49

Polar Surface Area

86.079

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3681-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1293?
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What is the minimum amount of 3681-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1293
  • 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 3681-1293 available by request