S551-0247 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

S551-0247 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
S551-0247 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0247
N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

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

S551-0247

Molecular Formula

C21H17N7O2 (C21 H17 N7 O2)

Compound Name

N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

IUPAC name

N-{[7-(3-ethyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

SMILES

CCc1noc(-c2cc3nnc(CNC(c4nccc5ccccc45)=O)n3cc2)n1

InChI

InChI=1S/C21H17N7O2/c1-2-16-24-21(30-27-16)14-8-10-28-17(11-14)25-26-18(28)12-23-20(29)19-15-6-4-3-5-13(15)7-9-22-19/h3-11H,2,12H2,1H3,(H,23,29)

InChI Key

XHOMQGSYHSPMNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.90

Polar Surface Area

89.453

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S551-0247 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S551-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0247?
Check Price and Availability of S551-0247, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S551-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0247
  • 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 S551-0247 available by request