4302-2368 Screening compound: ethyl (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

4302-2368 Screening compound: ethyl (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
4302-2368 Screening compound: ethyl (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2368
ethyl (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

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

4302-2368

Molecular Formula

C23H23NO7S (C23 H23 NO7 S)

Compound Name

ethyl (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-[(4-hydroxy-35-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OC)S/C1=C\c(cc1OC)cc(OC)c1O)=O

InChI

InChI=1S/C23H23NO7S/c1-5-31-23(27)19-21(26)18(12-13-10-16(29-3)20(25)17(11-13)30-4)32-22(19)24-14-6-8-15(28-2)9-7-14/h6-12,24-25H,5H2,1-4H3

InChI Key

JZBMBKNHMQGWKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03140422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.10

Polar Surface Area

80.401

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4302-2368 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4302-2368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2368?
Check Price and Availability of 4302-2368, 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 4302-2368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2368
  • 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 4302-2368 available by request