C288-0160 Screening compound: ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate

C288-0160 Screening compound: ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
C288-0160 Screening compound: ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C288-0160
ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-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

C288-0160

Molecular Formula

C22H20ClFO3 (C22 H20 ClFO3)

Compound Name

ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate

IUPAC name

ethyl 6-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate

SMILES

CCOC(C(C(CC(c1ccc(C)cc1)=C1)c(c(F)ccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C22H20ClFO3/c1-3-27-22(26)21-16(20-17(23)5-4-6-18(20)24)11-15(12-19(21)25)14-9-7-13(2)8-10-14/h4-10,12,16,21H,3,11H2,1-2H3

InChI Key

BDBNDHWIWLHYRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.85

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

5.146

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.59

Polar Surface Area

33.889

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C288-0160 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C288-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C288-0160?
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What is the minimum amount of C288-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C288-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C288-0160
  • 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 C288-0160 available by request