5198-8020 Screening compound: 3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one

5198-8020 Screening compound: 3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one
5198-8020 Screening compound: 3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5198-8020
3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one

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

5198-8020

Molecular Formula

C23H19ClFNO2 (C23 H19 ClFNO2)

Compound Name

3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one

IUPAC name

3-(4-chloro-2-methylphenoxy)-1-(4-fluorophenyl)-4-(4-methylphenyl)azetidin-2-one

SMILES

Cc1ccc(C(C(C2=O)Oc(cc3)c(C)cc3Cl)N2c(cc2)ccc2F)cc1

InChI

InChI=1S/C23H19ClFNO2/c1-14-3-5-16(6-4-14)21-22(28-20-12-7-17(24)13-15(20)2)23(27)26(21)19-10-8-18(25)9-11-19/h3-13,21-22H,1-2H3

InChI Key

GTMXJDFFYHHFTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.017

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-6.36

Polar Surface Area

21.876

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

5198-8020 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5198-8020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5198-8020?
Check Price and Availability of 5198-8020, 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 5198-8020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5198-8020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5198-8020
  • 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 5198-8020 available by request