P313-0050 Screening compound: N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-sulfonamide

P313-0050 Screening compound: N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-sulfonamide
P313-0050 Screening compound: N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P313-0050
N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-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

P313-0050

Molecular Formula

C13H9F3N4O2S (C13 H9 F3 N4 O2 S)

Compound Name

N-{[1,2,4]triazolo[4,3-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-{[124]triazolo[43-a]pyridin-8-yl}-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

O=S(c1cc(C(F)(F)F)ccc1)(Nc1cccn2c1nnc2)=O

InChI

InChI=1S/C13H9F3N4O2S/c14-13(15,16)9-3-1-4-10(7-9)23(21,22)19-11-5-2-6-20-8-17-18-12(11)20/h1-8,19H

InChI Key

LYADSIYCTDTHDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27571563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.3

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

1.899

Distribution Coefficient, logD

1.625

Water Solubility, LogSw

-2.70

Polar Surface Area

63.789

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

P313-0050 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P313-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P313-0050?
Check Price and Availability of P313-0050, 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 P313-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P313-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P313-0050
  • 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 P313-0050 available by request