1682-6565 Screening compound: 2-(diethylamino)ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate

1682-6565 Screening compound: 2-(diethylamino)ethyl 4-{3-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamido}benzoate
1682-6565 Screening compound: 2-(diethylamino)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 1682-6565
2-(diethylamino)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

1682-6565

Molecular Formula

C27H31N3O6S (C27 H31 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H31N3O6S/c1-4-29(5-2)16-17-36-26(33)20-8-10-21(11-9-20)28-24(31)14-15-30-25(32)23(37-27(30)34)18-19-6-12-22(35-3)13-7-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,28,31)

InChI Key

NSSJOTGZWWFGEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.17

Polar Surface Area

84.726

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1682-6565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6565?
Check Price and Availability of 1682-6565, 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 1682-6565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6565
  • 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 1682-6565 available by request