S069-3888 Screening compound: 2-(4-methylphenoxy)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one

S069-3888 Screening compound: 2-(4-methylphenoxy)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one
S069-3888 Screening compound: 2-(4-methylphenoxy)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-3888
2-(4-methylphenoxy)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-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

S069-3888

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

2-(4-methylphenoxy)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(4-methylphenoxy)-1-[3-(5-phenyl-124-oxadiazol-3-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

Cc(cc1)ccc1OCC(N(CC1)CC1c1noc(-c2ccccc2)n1)=O

InChI

InChI=1S/C21H21N3O3/c1-15-7-9-18(10-8-15)26-14-19(25)24-12-11-17(13-24)20-22-21(27-23-20)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m1/s1

InChI Key

PEFMFXXHDGCOPY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29007060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.48

Polar Surface Area

55.564

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S069-3888 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S069-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-3888?
Check Price and Availability of S069-3888, 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 S069-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-3888
  • 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 S069-3888 available by request