P048-1369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1369 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1369
N-(2H-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)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

P048-1369

Molecular Formula

C20H15FN4O4S (C20 H15 FN4 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

O=S(c(cc1)cn2c1nnc2)(N(Cc(cccc1)c1F)c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H15FN4O4S/c21-17-4-2-1-3-14(17)10-25(15-5-7-18-19(9-15)29-13-28-18)30(26,27)16-6-8-20-23-22-12-24(20)11-16/h1-9,11-12H,10,13H2

InChI Key

VAWFTQKKMIZCOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26941104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

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

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.22

Polar Surface Area

71.853

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P048-1369 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P048-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1369?
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What is the minimum amount of P048-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1369
  • 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 P048-1369 available by request