4302-2402 Screening compound: ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

4302-2402 Screening compound: ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
4302-2402 Screening compound: ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2402
ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(2,3-dimethoxyphenyl)methylidene]-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

4302-2402

Molecular Formula

C22H20ClNO5S (C22 H20 ClNO5 S)

Compound Name

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

IUPAC name

ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(23-dimethoxyphenyl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2Cl)S/C1=C\c(cccc1OC)c1OC)=O

InChI

InChI=1S/C22H20ClNO5S/c1-4-29-22(26)18-19(25)17(12-13-6-5-7-16(27-2)20(13)28-3)30-21(18)24-15-10-8-14(23)9-11-15/h5-12,24H,4H2,1-3H3

InChI Key

ZLLBRPUXRPXDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.90

Polar Surface Area

57.465

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4302-2402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2402?
Check Price and Availability of 4302-2402, 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 4302-2402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2402
  • 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 4302-2402 available by request