M082-0823 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

M082-0823 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one
M082-0823 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M082-0823
2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-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

M082-0823

Molecular Formula

C23H23ClFN3O3 (C23 H23 ClFN3 O3)

Compound Name

2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(4-chloro-2-methylphenoxy)-1-(4-{[3-(4-fluorophenyl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)ethan-1-one

SMILES

Cc(cc(cc1)Cl)c1OCC(N1CCC(Cc2nc(-c(cc3)ccc3F)no2)CC1)=O

InChI

InChI=1S/C23H23ClFN3O3/c1-15-12-18(24)4-7-20(15)30-14-22(29)28-10-8-16(9-11-28)13-21-26-23(27-31-21)17-2-5-19(25)6-3-17/h2-7,12,16H,8-11,13-14H2,1H3

InChI Key

FWKQHLLFUMZTLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.732

Water Solubility, LogSw

-6.02

Polar Surface Area

55.017

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

M082-0823 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M082-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M082-0823?
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What is the minimum amount of M082-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M082-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M082-0823
  • 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 M082-0823 available by request