SA66-0051 Screening compound: 4-(3-{2-[1-(4-fluorobenzenesulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA66-0051 Screening compound: 4-(3-{2-[1-(4-fluorobenzenesulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA66-0051 Screening compound: 4-(3-{2-[1-(4-fluorobenzenesulfonyl)piperidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0051
4-(3-{2-[1-(4-fluorobenzenesulfonyl)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

SA66-0051

Molecular Formula

C20H21FN4O3S (C20 H21 FN4 O3 S)

Compound Name

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

IUPAC name

4-(3-{2-[1-(4-fluorobenzenesulfonyl)piperidin-3-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

O=S(c(cc1)ccc1F)(N1CC(CCc2noc(-c3ccncc3)n2)CCC1)=O

InChI

InChI=1S/C20H21FN4O3S/c21-17-4-6-18(7-5-17)29(26,27)25-13-1-2-15(14-25)3-8-19-23-20(28-24-19)16-9-11-22-12-10-16/h4-7,9-12,15H,1-3,8,13-14H2/t15-/m1/s1

InChI Key

AGORDPNVQHLTRY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32001040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

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

3.130

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.22

Polar Surface Area

73.707

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SA66-0051 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA66-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0051?
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What is the minimum amount of SA66-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0051
  • 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 SA66-0051 available by request