SA66-0321 Screening compound: 1'-propyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,4'-bipiperidine

SA66-0321 Screening compound: 1'-propyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,4'-bipiperidine
SA66-0321 Screening compound: 1'-propyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0321
1'-propyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,4'-bipiperidine

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

SA66-0321

Molecular Formula

C22H33N5O (C22 H33 N5 O)

Compound Name

1'-propyl-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,4'-bipiperidine

IUPAC name

1'-propyl-3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}-14'-bipiperidine

SMILES

CCCN(CC1)CCC1N1CC(CCc2noc(-c3cnccc3)n2)CCC1

InChI

InChI=1S/C22H33N5O/c1-2-12-26-14-9-20(10-15-26)27-13-4-5-18(17-27)7-8-21-24-22(28-25-21)19-6-3-11-23-16-19/h3,6,11,16,18,20H,2,4-5,7-10,12-15,17H2,1H3/t18-/m1/s1

InChI Key

HISUBGXMERVWTQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32239136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

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

3.062

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-2.71

Polar Surface Area

49.162

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA66-0321 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA66-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0321?
Check Price and Availability of SA66-0321, 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 SA66-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0321
  • 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 SA66-0321 available by request