S551-0115 Screening compound: 2-chloro-4-fluoro-N-{[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}benzamide

S551-0115 Screening compound: 2-chloro-4-fluoro-N-{[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}benzamide
S551-0115 Screening compound: 2-chloro-4-fluoro-N-{[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0115
2-chloro-4-fluoro-N-{[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}benzamide

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

S551-0115

Molecular Formula

C17H12ClFN6O2 (C17 H12 ClFN6 O2)

Compound Name

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

IUPAC name

2-chloro-4-fluoro-N-{[7-(3-methyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}benzamide

SMILES

Cc1noc(-c2cc3nnc(CNC(c(ccc(F)c4)c4Cl)=O)n3cc2)n1

InChI

InChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)10-4-5-25-14(6-10)22-23-15(25)8-20-16(26)12-3-2-11(19)7-13(12)18/h2-7H,8H2,1H3,(H,20,26)

InChI Key

BXWDGOQPNXFHSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-3.57

Polar Surface Area

78.528

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

S551-0115 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S551-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0115?
Check Price and Availability of S551-0115, 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 S551-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0115
  • 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 S551-0115 available by request