5959-0266 Screening compound: ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate

5959-0266 Screening compound: ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate
5959-0266 Screening compound: ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0266
ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-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

5959-0266

Molecular Formula

C17H16O4S (C17 H16 O4 S)

Compound Name

ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate

IUPAC name

ethyl 6-(furan-2-yl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate

SMILES

CCOC(C(C(CC(c1cccs1)=C1)c2ccco2)C1=O)=O

InChI

InChI=1S/C17H16O4S/c1-2-20-17(19)16-12(14-5-3-7-21-14)9-11(10-13(16)18)15-6-4-8-22-15/h3-8,10,12,16H,2,9H2,1H3

InChI Key

CQNPDIZMZXHYJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.43

Polar Surface Area

43.486

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

5959-0266 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5959-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0266?
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What is the minimum amount of 5959-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0266
  • 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 5959-0266 available by request