3229-2781 Screening compound: 4-{[(2E,5E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

3229-2781 Screening compound: 4-{[(2E,5E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate
3229-2781 Screening compound: 4-{[(2E,5E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2781
4-{[(2E,5E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

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

3229-2781

Molecular Formula

C24H17ClN2O4S (C24 H17 ClN2 O4 S)

Compound Name

4-{[(2E,5E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

IUPAC name

4-{[(2E5E)-2-[(2-chlorophenyl)imino]-4-oxo-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl benzoate

SMILES

COc(cc(/C=C(\C(N1)=O)/S/C1=N/c(cccc1)c1Cl)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C24H17ClN2O4S/c1-30-20-13-15(11-12-19(20)31-23(29)16-7-3-2-4-8-16)14-21-22(28)27-24(32-21)26-18-10-6-5-9-17(18)25/h2-14H,1H3,(H,26,27,28)

InChI Key

WINXWCYMHUGZGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-5.16

Polar Surface Area

60.550

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3229-2781 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3229-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2781?
Check Price and Availability of 3229-2781, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3229-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2781
  • 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 3229-2781 available by request