P048-0796 Screening compound: N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-0796 Screening compound: N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-0796 Screening compound: N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-0796
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[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

P048-0796

Molecular Formula

C20H17FN4O3S (C20 H17 FN4 O3 S)

Compound Name

N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

IUPAC name

N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

COc1cccc(N(Cc2cc(F)ccc2)S(c(cc2)cn3c2nnc3)(=O)=O)c1

InChI

InChI=1S/C20H17FN4O3S/c1-28-18-7-3-6-17(11-18)25(12-15-4-2-5-16(21)10-15)29(26,27)19-8-9-20-23-22-14-24(20)13-19/h2-11,13-14H,12H2,1H3

InChI Key

OCUFMJNZZZFSQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.35

Polar Surface Area

62.282

Acid Dissociation Constant (pKa)

25.03

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with P048-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-0796?
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What is the minimum amount of P048-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-0796
  • 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 P048-0796 available by request