4491-2058 Screening compound: 3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide

4491-2058 Screening compound: 3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide
4491-2058 Screening compound: 3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-2058
3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide

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

4491-2058

Molecular Formula

C22H22N2O5S2 (C22 H22 N2 O5 S2)

Compound Name

3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide

IUPAC name

3-[(5Z)-5-[(34-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide

SMILES

COc(cc1)ccc1NC(CCN(C(/C(/S1)=C/c(cc2)cc(OC)c2OC)=O)C1=S)=O

InChI

InChI=1S/C22H22N2O5S2/c1-27-16-7-5-15(6-8-16)23-20(25)10-11-24-21(26)19(31-22(24)30)13-14-4-9-17(28-2)18(12-14)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)

InChI Key

PVWTZUKASUUXAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.89

Polar Surface Area

62.375

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4491-2058 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4491-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-2058?
Check Price and Availability of 4491-2058, 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 4491-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-2058
  • 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 4491-2058 available by request