3559-3605 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate

3559-3605 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate
3559-3605 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3559-3605
2-methoxy-4-{[(5Z)-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

3559-3605

Molecular Formula

C18H13NO4S2 (C18 H13 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1)=O)\SC1=S)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C18H13NO4S2/c1-22-14-9-11(10-15-16(20)19-18(24)25-15)7-8-13(14)23-17(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,24)

InChI Key

JMBPSSAWTNWCCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

1.272

Water Solubility, LogSw

-3.22

Polar Surface Area

52.995

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3559-3605 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3559-3605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3559-3605?
Check Price and Availability of 3559-3605, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3559-3605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3559-3605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3559-3605
  • 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 3559-3605 available by request