8015-2336 Screening compound: ethyl (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate

8015-2336 Screening compound: ethyl (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
8015-2336 Screening compound: ethyl (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2336
ethyl (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxybenzamido)-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

8015-2336

Molecular Formula

C22H18FNO5S (C22 H18 FNO5 S)

Compound Name

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

IUPAC name

ethyl (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-methoxybenzamido)-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(NC(c(cc2)ccc2OC)=O)S/C1=C\c(cc1)ccc1F)=O

InChI

InChI=1S/C22H18FNO5S/c1-3-29-22(27)18-19(25)17(12-13-4-8-15(23)9-5-13)30-21(18)24-20(26)14-6-10-16(28-2)11-7-14/h4-12H,3H2,1-2H3,(H,24,26)

InChI Key

YUWAKQAHKBLAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-4.21

Polar Surface Area

63.840

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8015-2336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2336?
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What is the minimum amount of 8015-2336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2336
  • 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 8015-2336 available by request