S551-0546 Screening compound: 2-cyclohexyl-N-{[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide

S551-0546 Screening compound: 2-cyclohexyl-N-{[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide
S551-0546 Screening compound: 2-cyclohexyl-N-{[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0546
2-cyclohexyl-N-{[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide

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

S551-0546

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

2-cyclohexyl-N-{[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}acetamide

IUPAC name

2-cyclohexyl-N-{[7-(3-cyclopropyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}acetamide

SMILES

O=C(CC1CCCCC1)NCc1nnc2n1ccc(-c1nc(C3CC3)no1)c2

InChI

InChI=1S/C20H24N6O2/c27-18(10-13-4-2-1-3-5-13)21-12-17-24-23-16-11-15(8-9-26(16)17)20-22-19(25-28-20)14-6-7-14/h8-9,11,13-14H,1-7,10,12H2,(H,21,27)

InChI Key

XNJBMEGAHOZZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.26

Polar Surface Area

79.146

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S551-0546 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 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:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S551-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0546?
Check Price and Availability of S551-0546, 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 S551-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0546
  • 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 S551-0546 available by request