3453-0382 Screening compound: N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

3453-0382 Screening compound: N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
3453-0382 Screening compound: N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0382
N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

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

3453-0382

Molecular Formula

C24H26N2O5S2 (C24 H26 N2 O5 S2)

Compound Name

N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-benzyl-N-ethyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]acetamide

SMILES

CCN(Cc1ccccc1)C(CN(C(/C(/S1)=C/c(cc2OC)cc(OC)c2OC)=O)C1=S)=O

InChI

InChI=1S/C24H26N2O5S2/c1-5-25(14-16-9-7-6-8-10-16)21(27)15-26-23(28)20(33-24(26)32)13-17-11-18(29-2)22(31-4)19(12-17)30-3/h6-13H,5,14-15H2,1-4H3

InChI Key

PVCQZADJURCLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02078012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.76

Polar Surface Area

55.100

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3453-0382 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3453-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0382?
Check Price and Availability of 3453-0382, 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 3453-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0382
  • 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 3453-0382 available by request