P047-0053 Screening compound: 6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0053 Screening compound: 6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0053 Screening compound: 6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0053
6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

P047-0053

Molecular Formula

C18H17F3N4O3S (C18 H17 F3 N4 O3 S)

Compound Name

6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=C(C=C2)S(N3CCCC3)(=O)=O)C2=NN1Cc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H17F3N4O3S/c19-18(20,21)14-5-3-4-13(10-14)11-25-17(26)24-12-15(6-7-16(24)22-25)29(27,28)23-8-1-2-9-23/h3-7,10,12H,1-2,8-9,11H2

InChI Key

VKGUUXUWXGUECU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-2.96

Polar Surface Area

64.877

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P047-0053 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P047-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0053?
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What is the minimum amount of P047-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0053
  • 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 P047-0053 available by request