P048-0020 Screening compound: N-(cyanomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-0020 Screening compound: N-(cyanomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-0020 Screening compound: N-(cyanomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-0020
N-(cyanomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

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

P048-0020

Molecular Formula

C14H11N5O2S (C14 H11 N5 O2 S)

Compound Name

N-(cyanomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-(cyanomethyl)-N-phenyl-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

N#CCN(c1ccccc1)S(c(cc1)cn2c1nnc2)(=O)=O

InChI

InChI=1S/C14H11N5O2S/c15-8-9-19(12-4-2-1-3-5-12)22(20,21)13-6-7-14-17-16-11-18(14)10-13/h1-7,10-11H,9H2

InChI Key

OPUYSNYAEQWHGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-2.08

Polar Surface Area

72.480

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P048-0020 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P048-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-0020?
Check Price and Availability of P048-0020, 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 P048-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-0020
  • 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 P048-0020 available by request