P048-1467 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1467 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1467 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1467
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylphenyl)methyl]-[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

P048-1467

Molecular Formula

C22H20N4O4S (C22 H20 N4 O4 S)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-N-[(2-methylphenyl)methyl]-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

Cc1c(CN(c(cc2)cc3c2OCCO3)S(c(cc2)cn3c2nnc3)(=O)=O)cccc1

InChI

InChI=1S/C22H20N4O4S/c1-16-4-2-3-5-17(16)13-26(18-6-8-20-21(12-18)30-11-10-29-20)31(27,28)19-7-9-22-24-23-15-25(22)14-19/h2-9,12,14-15H,10-11,13H2,1H3

InChI Key

FIJFJESPCSBCGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

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

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-2.96

Polar Surface Area

70.561

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P048-1467 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P048-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1467?
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What is the minimum amount of P048-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1467
  • 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 P048-1467 available by request