3584-0400 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate

3584-0400 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate
3584-0400 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0400
2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate

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

3584-0400

Molecular Formula

C18H12ClNO4S2 (C18 H12 ClNO4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1OC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H12ClNO4S2/c1-23-14-8-10(9-15-16(21)20-18(25)26-15)2-7-13(14)24-17(22)11-3-5-12(19)6-4-11/h2-9H,1H3,(H,20,21,25)

InChI Key

SJFCROIRXXSKRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.88

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

3.323

Distribution Coefficient, logD

1.971

Water Solubility, LogSw

-4.11

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

References: we are preparing a list of scientific research reports with 3584-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0400?
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What is the minimum amount of 3584-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0400
  • 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 3584-0400 available by request