P277-0022 Screening compound: 2-(methylsulfanyl)-N~3~-[1,2,4]triazolo[4,3-a]pyridin-8-ylnicotinamide

P277-0022 Screening compound: 2-(methylsulfanyl)-N~3~-[1,2,4]triazolo[4,3-a]pyridin-8-ylnicotinamide
P277-0022 Screening compound: 2-(methylsulfanyl)-N~3~-[1,2,4]triazolo[4,3-a]pyridin-8-ylnicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P277-0022
2-(methylsulfanyl)-N~3~-[1,2,4]triazolo[4,3-a]pyridin-8-ylnicotinamide

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

P277-0022

Molecular Formula

C13H11N5OS (C13 H11 N5 OS)

Compound Name

2-(methylsulfanyl)-N~3~-[1,2,4]triazolo[4,3-a]pyridin-8-ylnicotinamide

IUPAC name

2-(methylsulfanyl)-N-{[124]triazolo[43-a]pyridin-8-yl}pyridine-3-carboxamide

SMILES

CSc1ncccc1C(Nc1cccn2c1nnc2)=O

InChI

InChI=1S/C13H11N5OS/c1-20-13-9(4-2-6-14-13)12(19)16-10-5-3-7-18-8-15-17-11(10)18/h2-8H,1H3,(H,16,19)

InChI Key

YVOPOCHNBYLYOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27571231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.964

Distribution Coefficient, logD

0.957

Water Solubility, LogSw

-2.31

Polar Surface Area

55.410

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

P277-0022 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P277-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P277-0022?
Check Price and Availability of P277-0022, 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 P277-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P277-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P277-0022
  • 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 P277-0022 available by request