1682-6560 Screening compound: ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate

1682-6560 Screening compound: ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate
1682-6560 Screening compound: ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6560
ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}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

1682-6560

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]propanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCN(C(/C(/S1)=C\c(cc2)ccc2OC)=O)C1=O)=O)=O

InChI

InChI=1S/C23H22N2O6S/c1-3-31-22(28)16-6-8-17(9-7-16)24-20(26)12-13-25-21(27)19(32-23(25)29)14-15-4-10-18(30-2)11-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,26)

InChI Key

LBPYQWBIZIYPSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.08

Polar Surface Area

81.021

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

1682-6560 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-6560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6560?
Check Price and Availability of 1682-6560, 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 1682-6560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6560
  • 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 1682-6560 available by request