S550-0181 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2,5-difluorobenzamide

S550-0181 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2,5-difluorobenzamide
S550-0181 Screening compound: N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S550-0181
N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2,5-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

S550-0181

Molecular Formula

C19H14F2N6O2 (C19 H14 F2 N6 O2)

Compound Name

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

IUPAC name

N-{[8-(3-cyclopropyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}-25-difluorobenzamide

SMILES

O=C(c(cc(cc1)F)c1F)NCc1nnc2n1cccc2-c1nc(C2CC2)no1

InChI

InChI=1S/C19H14F2N6O2/c20-11-5-6-14(21)13(8-11)18(28)22-9-15-24-25-17-12(2-1-7-27(15)17)19-23-16(26-29-19)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H,22,28)

InChI Key

ZTNHNHGPRBVLMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.36

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

2.648

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.25

Polar Surface Area

79.713

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S550-0181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S550-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S550-0181?
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What is the minimum amount of S550-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S550-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S550-0181
  • 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 S550-0181 available by request