P048-1948 Screening compound: N-(cyanomethyl)-3-ethyl-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

P048-1948 Screening compound: N-(cyanomethyl)-3-ethyl-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
P048-1948 Screening compound: N-(cyanomethyl)-3-ethyl-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P048-1948
N-(cyanomethyl)-3-ethyl-N-(4-fluorophenyl)-[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

P048-1948

Molecular Formula

C16H14FN5O2S (C16 H14 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(cc2)n1cc2S(N(CC#N)c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C16H14FN5O2S/c1-2-15-19-20-16-8-7-14(11-21(15)16)25(23,24)22(10-9-18)13-5-3-12(17)4-6-13/h3-8,11H,2,10H2,1H3

InChI Key

SUANJPLAJODBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

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

1.533

Distribution Coefficient, logD

1.533

Water Solubility, LogSw

-2.27

Polar Surface Area

72.013

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with P048-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P048-1948?
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What is the minimum amount of P048-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P048-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P048-1948
  • 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 P048-1948 available by request