SA66-1161 Screening compound: 2-(3-{2-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA66-1161 Screening compound: 2-(3-{2-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA66-1161 Screening compound: 2-(3-{2-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-1161
2-(3-{2-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-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

SA66-1161

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

2-(3-{2-[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

2-(3-{2-[1-(23-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

O=S(c1cc(CCC2)c2cc1)(N1CC(CCc2noc(-c3ncccc3)n2)CCC1)=O

InChI

InChI=1S/C23H26N4O3S/c28-31(29,20-11-10-18-6-3-7-19(18)15-20)27-14-4-5-17(16-27)9-12-22-25-23(30-26-22)21-8-1-2-13-24-21/h1-2,8,10-11,13,15,17H,3-7,9,12,14,16H2/t17-/m1/s1

InChI Key

LWXUHVVSSDKQOU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32001516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.36

Polar Surface Area

73.614

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SA66-1161 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 SA66-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-1161?
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What is the minimum amount of SA66-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-1161
  • 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 SA66-1161 available by request