5648-1229 Screening compound: ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

5648-1229 Screening compound: ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
5648-1229 Screening compound: ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-1229
ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)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

5648-1229

Molecular Formula

C25H25NO5S (C25 H25 NO5 S)

Compound Name

ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-4-oxo-2-(phenylamino)-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2ccccc2)S/C1=C\c(cc1)cc(OCC)c1OCC=C)=O

InChI

InChI=1S/C25H25NO5S/c1-4-14-31-19-13-12-17(15-20(19)29-5-2)16-21-23(27)22(25(28)30-6-3)24(32-21)26-18-10-8-7-9-11-18/h4,7-13,15-16,26H,1,5-6,14H2,2-3H3

InChI Key

ZUFBJTDQACOYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05039733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.307

Water Solubility, LogSw

-5.43

Polar Surface Area

56.832

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5648-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-1229?
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What is the minimum amount of 5648-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-1229
  • 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 5648-1229 available by request