SA66-0821 Screening compound: 2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-1,2,4-oxadiazol-5-yl}pyridine

SA66-0821 Screening compound: 2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-1,2,4-oxadiazol-5-yl}pyridine
SA66-0821 Screening compound: 2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0821
2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-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

SA66-0821

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

2-{3-[2-(1-phenylmethanesulfonylpiperidin-3-yl)ethyl]-124-oxadiazol-5-yl}pyridine

SMILES

O=S(Cc1ccccc1)(N1CC(CCc2noc(-c3ncccc3)n2)CCC1)=O

InChI

InChI=1S/C21H24N4O3S/c26-29(27,16-18-7-2-1-3-8-18)25-14-6-9-17(15-25)11-12-20-23-21(28-24-20)19-10-4-5-13-22-19/h1-5,7-8,10,13,17H,6,9,11-12,14-16H2/t17-/m1/s1

InChI Key

OUUCUOURCBDZQP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32001630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.36

Polar Surface Area

73.221

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SA66-0821 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA66-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0821?
Check Price and Availability of SA66-0821, 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 SA66-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0821
  • 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 SA66-0821 available by request