S550-0546 Screening compound: N-{[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-difluorobenzamide

S550-0546 Screening compound: N-{[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-difluorobenzamide
S550-0546 Screening compound: N-{[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0546
N-{[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-difluorobenzamide

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

S550-0546

Molecular Formula

C18H14F2N6O2 (C18 H14 F2 N6 O2)

Compound Name

N-{[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-difluorobenzamide

IUPAC name

N-{[8-(3-ethyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}-34-difluorobenzamide

SMILES

CCc1noc(-c2cccn3c2nnc3CNC(c(cc2)cc(F)c2F)=O)n1

InChI

InChI=1S/C18H14F2N6O2/c1-2-14-22-18(28-25-14)11-4-3-7-26-15(23-24-16(11)26)9-21-17(27)10-5-6-12(19)13(20)8-10/h3-8H,2,9H2,1H3,(H,21,27)

InChI Key

USMBZTUHCDUYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.68

Polar Surface Area

80.452

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S550-0546 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S550-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0546?
Check Price and Availability of S550-0546, 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 S550-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0546
  • 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 S550-0546 available by request