S551-0649 Screening compound: benzyl(methyl){[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amine

S551-0649 Screening compound: benzyl(methyl){[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amine
S551-0649 Screening compound: benzyl(methyl){[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S551-0649
benzyl(methyl){[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amine

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

S551-0649

Molecular Formula

C23H20N6O (C23 H20 N6 O)

Compound Name

benzyl(methyl){[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amine

IUPAC name

benzyl(methyl){[7-(3-phenyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]methyl}amine

SMILES

CN(Cc1nnc2n1ccc(-c1nc(-c3ccccc3)no1)c2)Cc1ccccc1

InChI

InChI=1S/C23H20N6O/c1-28(15-17-8-4-2-5-9-17)16-21-26-25-20-14-19(12-13-29(20)21)23-24-22(27-30-23)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3

InChI Key

QRIOHFAVFPWQFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.87

Polar Surface Area

58.075

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

S551-0649 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with S551-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S551-0649?
Check Price and Availability of S551-0649, 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 S551-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S551-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S551-0649
  • 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 S551-0649 available by request