S551-0231 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,5-difluorobenzamide

S551-0231 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,5-difluorobenzamide
S551-0231 Screening compound: N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0231
N-{[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,5-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

S551-0231

Molecular Formula

C18H14F2N6O2 (C18 H14 F2 N6 O2)

Compound Name

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

IUPAC name

N-{[7-(3-ethyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}-35-difluorobenzamide

SMILES

CCc1noc(-c2cc3nnc(CNC(c4cc(F)cc(F)c4)=O)n3cc2)n1

InChI

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

InChI Key

FYJUMFRCTBUDFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009325

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

2.429

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.78

Polar Surface Area

79.906

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S551-0231 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S551-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0231?
Check Price and Availability of S551-0231, 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 S551-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0231
  • 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 S551-0231 available by request