S550-0191 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

S550-0191 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide
S550-0191 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0191
N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

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

S550-0191

Molecular Formula

C22H17N7O2 (C22 H17 N7 O2)

Compound Name

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

IUPAC name

N-{[8-(3-cyclopropyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}isoquinoline-1-carboxamide

SMILES

O=C(c1nccc2ccccc12)NCc1nnc2n1cccc2-c1nc(C2CC2)no1

InChI

InChI=1S/C22H17N7O2/c30-21(18-15-5-2-1-4-13(15)9-10-23-18)24-12-17-26-27-20-16(6-3-11-29(17)20)22-25-19(28-31-22)14-7-8-14/h1-6,9-11,14H,7-8,12H2,(H,24,30)

InChI Key

QWZNDMHOMTUXNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-2.87

Polar Surface Area

89.260

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

S550-0191 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 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 S550-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0191?
Check Price and Availability of S550-0191, 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 S550-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0191
  • 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 S550-0191 available by request