3229-1474 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate

3229-1474 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate
3229-1474 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1474
4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl 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

3229-1474

Molecular Formula

C19H15NO5S (C19 H15 NO5 S)

Compound Name

4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate

IUPAC name

4-{[(5E)-24-dioxo-13-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate

SMILES

CCOc(cc(/C=C(\C(N1)=O)/SC1=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C19H15NO5S/c1-2-24-15-10-12(11-16-17(21)20-19(23)26-16)8-9-14(15)25-18(22)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,20,21,23)

InChI Key

JVWCVVDIUOCPDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.18

Polar Surface Area

65.583

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3229-1474 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3229-1474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1474?
Check Price and Availability of 3229-1474, 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 3229-1474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1474
  • 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 3229-1474 available by request