S926-7842 Screening compound: 4-[3-({[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]oxy}methyl)-1,2,4-oxadiazol-5-yl]pyridine

S926-7842 Screening compound: 4-[3-({[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]oxy}methyl)-1,2,4-oxadiazol-5-yl]pyridine
S926-7842 Screening compound: 4-[3-({[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]oxy}methyl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S926-7842
4-[3-({[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]oxy}methyl)-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

S926-7842

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

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

IUPAC name

4-[3-({[1-(23-dihydro-1H-indene-5-sulfonyl)piperidin-3-yl]oxy}methyl)-124-oxadiazol-5-yl]pyridine

SMILES

O=S(c1cc(CCC2)c2cc1)(N(CCC1)CC1OCc1noc(-c2ccncc2)n1)=O

InChI

InChI=1S/C22H24N4O4S/c27-31(28,20-7-6-16-3-1-4-18(16)13-20)26-12-2-5-19(14-26)29-15-21-24-22(30-25-21)17-8-10-23-11-9-17/h6-11,13,19H,1-5,12,14-15H2/t19-/m0/s1

InChI Key

QVBLHZRBXMLRIY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31994407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.15

Polar Surface Area

81.007

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S926-7842 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)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S926-7842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S926-7842?
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What is the minimum amount of S926-7842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S926-7842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S926-7842
  • 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 S926-7842 available by request