P048-1796 Screening compound: 3-ethyl-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1796 Screening compound: 3-ethyl-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1796 Screening compound: 3-ethyl-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1796
3-ethyl-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)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

P048-1796

Molecular Formula

C22H21FN4O3S (C22 H21 FN4 O3 S)

Compound Name

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

IUPAC name

3-ethyl-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-[124]triazolo[43-a]pyridine-6-sulfonamide

SMILES

CCc1nnc(cc2)n1cc2S(N(Cc(cc1)ccc1OC)c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C22H21FN4O3S/c1-3-21-24-25-22-12-11-20(15-26(21)22)31(28,29)27(18-6-4-5-17(23)13-18)14-16-7-9-19(30-2)10-8-16/h4-13,15H,3,14H2,1-2H3

InChI Key

ULHFYQFSGUMRJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.62

Polar Surface Area

61.815

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P048-1796 in Drug Discovery

Included in Screening Libraries

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 P048-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1796?
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What is the minimum amount of P048-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1796
  • 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 P048-1796 available by request