S550-0021 Screening compound: N-{[8-(3-PROPYL-1,2,4-OXADIAZOL-5-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHYL}CYCLOPENTANECARBOXAMIDE

S550-0021 Screening compound: N-{[8-(3-PROPYL-1,2,4-OXADIAZOL-5-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHYL}CYCLOPENTANECARBOXAMIDE
S550-0021 Screening compound: N-{[8-(3-PROPYL-1,2,4-OXADIAZOL-5-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHYL}CYCLOPENTANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0021
N-{[8-(3-PROPYL-1,2,4-OXADIAZOL-5-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHYL}CYCLOPENTANECARBOXAMIDE

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

S550-0021

Molecular Formula

C18H22N6O2 (C18 H22 N6 O2)

Compound Name

N-{[8-(3-PROPYL-1,2,4-OXADIAZOL-5-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHYL}CYCLOPENTANECARBOXAMIDE

IUPAC name

N-{[8-(3-propyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}cyclopentanecarboxamide

SMILES

CCCc1noc(-c2cccn3c2nnc3CNC(C2CCCC2)=O)n1

InChI

InChI=1S/C18H22N6O2/c1-2-6-14-20-18(26-23-14)13-9-5-10-24-15(21-22-16(13)24)11-19-17(25)12-7-3-4-8-12/h5,9-10,12H,2-4,6-8,11H2,1H3,(H,19,25)

InChI Key

ZUGWLFFAHAKDQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

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

1.957

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.47

Polar Surface Area

81.010

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S550-0021 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S550-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0021?
Check Price and Availability of S550-0021, 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 S550-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0021
  • 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 S550-0021 available by request