S069-4228 Screening compound: 2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

S069-4228 Screening compound: 2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine
S069-4228 Screening compound: 2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4228
2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

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

S069-4228

Molecular Formula

C17H20N4O3 (C17 H20 N4 O3)

Compound Name

2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

2-{3-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]-124-oxadiazol-5-yl}pyridine

SMILES

O=C(C1CCOCC1)N(CC1)CC1c1noc(-c2ncccc2)n1

InChI

InChI=1S/C17H20N4O3/c22-17(12-5-9-23-10-6-12)21-8-4-13(11-21)15-19-16(24-20-15)14-3-1-2-7-18-14/h1-3,7,12-13H,4-6,8-11H2/t13-/m1/s1

InChI Key

KFPQKQNMDUVFGC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29011717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.625

Distribution Coefficient, logD

1.625

Water Solubility, LogSw

-1.66

Polar Surface Area

65.740

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S069-4228 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S069-4228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4228?
Check Price and Availability of S069-4228, 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 S069-4228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4228
  • 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 S069-4228 available by request