5648-3124 Screening compound: ethyl (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate

5648-3124 Screening compound: ethyl (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
5648-3124 Screening compound: ethyl (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-3124
ethyl (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-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

5648-3124

Molecular Formula

C22H17Cl2NO4S (C22 H17 Cl2 NO4 S)

Compound Name

ethyl (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-[(24-dichlorophenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(NC(c2ccc(C)cc2)=O)S/C1=C\c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C22H17Cl2NO4S/c1-3-29-22(28)18-19(26)17(10-14-8-9-15(23)11-16(14)24)30-21(18)25-20(27)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,25,27)

InChI Key

ZCKCWQVIKYTQOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.129

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-6.19

Polar Surface Area

56.296

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 5648-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-3124?
Check Price and Availability of 5648-3124, 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 5648-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-3124
  • 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 5648-3124 available by request