3681-1297 Screening compound: 4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate

3681-1297 Screening compound: 4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate
3681-1297 Screening compound: 4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1297
4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 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

3681-1297

Molecular Formula

C18H13ClN2O4S (C18 H13 ClN2 O4 S)

Compound Name

4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate

IUPAC name

4-{[(5Z)-2-imino-4-oxo-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-chlorobenzoate

SMILES

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

InChI

InChI=1S/C18H13ClN2O4S/c1-24-14-8-10(9-15-16(22)21-18(20)26-15)2-7-13(14)25-17(23)11-3-5-12(19)6-4-11/h2-9H,1H3,(H2,20,21,22)

InChI Key

CKDJQNLYHBYERW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02638840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.84

Polar Surface Area

70.609

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3681-1297 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 3681-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1297?
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What is the minimum amount of 3681-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1297
  • 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 3681-1297 available by request