P048-1466 Screening compound: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1466 Screening compound: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1466 Screening compound: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1466
N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[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

P048-1466

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-benzyl-N-(23-dihydro-14-benzodioxin-6-yl)-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

O=S(c(cc1)cn2c1nnc2)(N(Cc1ccccc1)c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C21H18N4O4S/c26-30(27,18-7-9-21-23-22-15-24(21)14-18)25(13-16-4-2-1-3-5-16)17-6-8-19-20(12-17)29-11-10-28-19/h1-9,12,14-15H,10-11,13H2

InChI Key

UPEAFKUSHPVHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.028

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.59

Polar Surface Area

70.561

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P048-1466 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P048-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1466?
Check Price and Availability of P048-1466, 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 P048-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1466
  • 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 P048-1466 available by request