C288-0061 Screening compound: ethyl 6-(2-fluorophenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate

C288-0061 Screening compound: ethyl 6-(2-fluorophenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate
C288-0061 Screening compound: ethyl 6-(2-fluorophenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C288-0061
ethyl 6-(2-fluorophenyl)-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

C288-0061

Molecular Formula

C19H17FO3S (C19 H17 FO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(CC(c1cccs1)=C1)c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C19H17FO3S/c1-2-23-19(22)18-14(13-6-3-4-7-15(13)20)10-12(11-16(18)21)17-8-5-9-24-17/h3-9,11,14,18H,2,10H2,1H3

InChI Key

ZMVMCBDAVKEEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.24

Polar Surface Area

34.907

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

C288-0061 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C288-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C288-0061?
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What is the minimum amount of C288-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C288-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C288-0061
  • 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 C288-0061 available by request