5648-1453 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate

5648-1453 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate
5648-1453 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-1453
ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-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

5648-1453

Molecular Formula

C26H23NO5S2 (C26 H23 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OCC)S/C1=C\c(o1)ccc1Sc1ccccc1)=O

InChI

InChI=1S/C26H23NO5S2/c1-3-30-18-12-10-17(11-13-18)27-25-23(26(29)31-4-2)24(28)21(34-25)16-19-14-15-22(32-19)33-20-8-6-5-7-9-20/h5-16,27H,3-4H2,1-2H3

InChI Key

YEKRHTVRVGKHBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.069

Distribution Coefficient, logD

7.044

Water Solubility, LogSw

-5.80

Polar Surface Area

57.031

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5648-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-1453?
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What is the minimum amount of 5648-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-1453
  • 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 5648-1453 available by request