SA66-0835 Screening compound: 2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SA66-0835 Screening compound: 2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one
SA66-0835 Screening compound: 2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0835
2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-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

SA66-0835

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SMILES

COc1cccc(CC(N2CC(CCc3noc(-c4ncccc4)n3)CCC2)=O)c1

InChI

InChI=1S/C23H26N4O3/c1-29-19-8-4-6-18(14-19)15-22(28)27-13-5-7-17(16-27)10-11-21-25-23(30-26-21)20-9-2-3-12-24-20/h2-4,6,8-9,12,14,17H,5,7,10-11,13,15-16H2,1H3/t17-/m1/s1

InChI Key

BPFBBMOLMZCRLT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32001745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.86

Polar Surface Area

65.281

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA66-0835 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA66-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0835?
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What is the minimum amount of SA66-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0835
  • 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 SA66-0835 available by request