S550-0048 Screening compound: 4-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)butanamide

S550-0048 Screening compound: 4-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)butanamide
S550-0048 Screening compound: 4-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0048
4-phenyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)butanamide

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

S550-0048

Molecular Formula

C22H24N6O2 (C22 H24 N6 O2)

Compound Name

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

IUPAC name

4-phenyl-N-({8-[3-(propan-2-yl)-124-oxadiazol-5-yl]-[124]triazolo[43-a]pyridin-3-yl}methyl)butanamide

SMILES

CC(C)c1noc(-c2cccn3c2nnc3CNC(CCCc2ccccc2)=O)n1

InChI

InChI=1S/C22H24N6O2/c1-15(2)20-24-22(30-27-20)17-11-7-13-28-18(25-26-21(17)28)14-23-19(29)12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,13,15H,6,10,12,14H2,1-2H3,(H,23,29)

InChI Key

MIQSQQXPWIIEDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.51

Polar Surface Area

79.248

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S550-0048 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S550-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0048?
Check Price and Availability of S550-0048, 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 S550-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0048
  • 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 S550-0048 available by request