SA72-1123 Screening compound: 3-{3-[1-(4-fluorobenzenesulfonyl)-4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA72-1123 Screening compound: 3-{3-[1-(4-fluorobenzenesulfonyl)-4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA72-1123 Screening compound: 3-{3-[1-(4-fluorobenzenesulfonyl)-4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-1123
3-{3-[1-(4-fluorobenzenesulfonyl)-4-(2-methoxyethyl)piperidin-4-yl]-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

SA72-1123

Molecular Formula

C21H23FN4O4S (C21 H23 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCC(CC1)(CCN1S(c(cc1)ccc1F)(=O)=O)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C21H23FN4O4S/c1-29-14-10-21(20-24-19(30-25-20)16-3-2-11-23-15-16)8-12-26(13-9-21)31(27,28)18-6-4-17(22)5-7-18/h2-7,11,15H,8-10,12-14H2,1H3

InChI Key

PJRUVSLFUIETIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-2.99

Polar Surface Area

81.215

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

SA72-1123 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA72-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-1123?
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What is the minimum amount of SA72-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-1123
  • 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 SA72-1123 available by request