3681-1306 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate

3681-1306 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate
3681-1306 Screening compound: 2-ethoxy-4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1306
2-ethoxy-4-{[(5Z)-2-imino-4-oxo-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

3681-1306

Molecular Formula

C20H18N2O4S (C20 H18 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N1)=O)\SC1=N)cc1)c1OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C20H18N2O4S/c1-3-25-16-10-13(11-17-18(23)22-20(21)27-17)6-9-15(16)26-19(24)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,21,22,23)

InChI Key

OCWVXCZOJDKFEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.41

Polar Surface Area

70.188

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3681-1306 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3681-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1306?
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What is the minimum amount of 3681-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1306
  • 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 3681-1306 available by request