4767-1311 Screening compound: ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

4767-1311 Screening compound: ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
4767-1311 Screening compound: ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4767-1311
ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)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

4767-1311

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(4-ethoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCN(CC)c1ccc(/C=C2\SC(Nc(cc3)ccc3OCC)=C(C(OCC)=O)C2=O)cc1

InChI

InChI=1S/C26H30N2O4S/c1-5-28(6-2)20-13-9-18(10-14-20)17-22-24(29)23(26(30)32-8-4)25(33-22)27-19-11-15-21(16-12-19)31-7-3/h9-17,27H,5-8H2,1-4H3

InChI Key

OOKMCIFREIPKIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02640064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.162

Distribution Coefficient, logD

6.136

Water Solubility, LogSw

-5.58

Polar Surface Area

51.977

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4767-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4767-1311?
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What is the minimum amount of 4767-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4767-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4767-1311
  • 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 4767-1311 available by request