3559-3618 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate

3559-3618 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
3559-3618 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3559-3618
2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate

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

3559-3618

Molecular Formula

C19H15NO5S2 (C19 H15 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Oc(cc(/C=C(/C(N1)=O)\SC1=S)cc1)c1OC)=O

InChI

InChI=1S/C19H15NO5S2/c1-23-13-6-4-12(5-7-13)18(22)25-15-9-11(3-8-14(15)24-2)10-16-17(21)20-19(26)27-16/h3-10H,1-2H3,(H,20,21,26)

InChI Key

MADFOFGRXZLDNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-3.58

Polar Surface Area

60.539

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 3559-3618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3559-3618?
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What is the minimum amount of 3559-3618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3559-3618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3559-3618
  • 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 3559-3618 available by request