3681-1294 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-iodophenyl benzenesulfonate

3681-1294 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-iodophenyl benzenesulfonate
3681-1294 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-iodophenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1294
2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-6-iodophenyl 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

3681-1294

Molecular Formula

C18H15IN2O5S2 (C18 H15 IN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(/C(N2)=O)\SC2=N)cc(I)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C18H15IN2O5S2/c1-2-25-14-9-11(10-15-17(22)21-18(20)27-15)8-13(19)16(14)26-28(23,24)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,20,21,22)

InChI Key

PPLYAWCYHPKGHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.49

Polar Surface Area

85.659

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3681-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1294?
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What is the minimum amount of 3681-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1294
  • 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 3681-1294 available by request