5648-3091 Screening compound: ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

5648-3091 Screening compound: ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
5648-3091 Screening compound: ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-3091
ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-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

5648-3091

Molecular Formula

C24H22ClNO6S (C24 H22 ClNO6 S)

Compound Name

ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-{[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(COc(ccc(/C=C1\SC(Nc2ccccc2)=C(C(OCC)=O)C1=O)c1)c1Cl)=O

InChI

InChI=1S/C24H22ClNO6S/c1-3-30-20(27)14-32-18-11-10-15(12-17(18)25)13-19-22(28)21(24(29)31-4-2)23(33-19)26-16-8-6-5-7-9-16/h5-13,26H,3-4,14H2,1-2H3

InChI Key

ZKOWWPOGVSPBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03710908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.035

Water Solubility, LogSw

-5.40

Polar Surface Area

69.862

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 5648-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-3091?
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What is the minimum amount of 5648-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-3091
  • 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 5648-3091 available by request