S926-7840 Screening compound: 4-(3-{[(1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}piperidin-3-yl)oxy]methyl}-1,2,4-oxadiazol-5-yl)pyridine

S926-7840 Screening compound: 4-(3-{[(1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}piperidin-3-yl)oxy]methyl}-1,2,4-oxadiazol-5-yl)pyridine
S926-7840 Screening compound: 4-(3-{[(1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}piperidin-3-yl)oxy]methyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S926-7840
4-(3-{[(1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}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

S926-7840

Molecular Formula

C21H21N7O4 (C21 H21 N7 O4)

Compound Name

4-(3-{[(1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}piperidin-3-yl)oxy]methyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

4-(3-{[(1-{5-[(1H-124-triazol-1-yl)methyl]furan-2-carbonyl}piperidin-3-yl)oxy]methyl}-124-oxadiazol-5-yl)pyridine

SMILES

O=C(c1ccc(Cn2ncnc2)o1)N(CCC1)CC1OCc1noc(-c2ccncc2)n1

InChI

InChI=1S/C21H21N7O4/c29-21(18-4-3-17(31-18)11-28-14-23-13-24-28)27-9-1-2-16(10-27)30-12-19-25-20(32-26-19)15-5-7-22-8-6-15/h3-8,13-14,16H,1-2,9-12H2/t16-/m0/s1

InChI Key

UMPQWCJXAVDEOV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31961689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.581

Distribution Coefficient, logD

0.580

Water Solubility, LogSw

-0.88

Polar Surface Area

98.476

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S926-7840 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S926-7840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S926-7840?
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What is the minimum amount of S926-7840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S926-7840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S926-7840
  • 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 S926-7840 available by request