3681-1258 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate

3681-1258 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate
3681-1258 Screening compound: 2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1258
2-methoxy-5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate

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

3681-1258

Molecular Formula

C19H15NO4S2 (C19 H15 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H15NO4S2/c1-11-3-6-13(7-4-11)18(22)24-15-9-12(5-8-14(15)23-2)10-16-17(21)20-19(25)26-16/h3-10H,1-2H3,(H,20,21,25)

InChI Key

SIZQKGNPASUHPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

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

3.302

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-3.62

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

10.50

References: we are preparing a list of scientific research reports with 3681-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1258?
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What is the minimum amount of 3681-1258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1258
  • 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 3681-1258 available by request