C288-0171 Screening compound: ethyl 6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate

C288-0171 Screening compound: ethyl 6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
C288-0171 Screening compound: ethyl 6-(2-chlorophenyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C288-0171
ethyl 6-(2-chlorophenyl)-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

C288-0171

Molecular Formula

C22H21ClO3 (C22 H21 ClO3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(CC(c1ccc(C)cc1)=C1)c(cccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C22H21ClO3/c1-3-26-22(25)21-18(17-6-4-5-7-19(17)23)12-16(13-20(21)24)15-10-8-14(2)9-11-15/h4-11,13,18,21H,3,12H2,1-2H3

InChI Key

PGOOSJVVMOTJEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

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

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.86

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

C288-0171 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C288-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C288-0171?
Check Price and Availability of C288-0171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C288-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C288-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C288-0171
  • 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 C288-0171 available by request