S069-0453 Screening compound: 3-[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

S069-0453 Screening compound: 3-[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine
S069-0453 Screening compound: 3-[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-0453
3-[3-(1-cyclobutanecarbonylpyrrolidin-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

S069-0453

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

3-[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

3-[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-124-oxadiazol-5-yl]pyridine

SMILES

O=C(C1CCC1)N(CC1)CC1c1noc(-c2cnccc2)n1

InChI

InChI=1S/C16H18N4O2/c21-16(11-3-1-4-11)20-8-6-13(10-20)14-18-15(22-19-14)12-5-2-7-17-9-12/h2,5,7,9,11,13H,1,3-4,6,8,10H2/t13-/m1/s1

InChI Key

IMPWLQATMBIWSZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30462322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-0.93

Polar Surface Area

58.633

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S069-0453 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S069-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-0453?
Check Price and Availability of S069-0453, 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 S069-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-0453
  • 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 S069-0453 available by request