P047-0318 Screening compound: 6-(azepane-1-sulfonyl)-2-benzyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0318 Screening compound: 6-(azepane-1-sulfonyl)-2-benzyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0318 Screening compound: 6-(azepane-1-sulfonyl)-2-benzyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0318
6-(azepane-1-sulfonyl)-2-benzyl-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

P047-0318

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

6-(azepane-1-sulfonyl)-2-benzyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

6-(azepane-1-sulfonyl)-2-benzyl-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=C(C=C2)S(N3CCCCCC3)(=O)=O)C2=NN1Cc1ccccc1

InChI

InChI=1S/C19H22N4O3S/c24-19-22-15-17(27(25,26)21-12-6-1-2-7-13-21)10-11-18(22)20-23(19)14-16-8-4-3-5-9-16/h3-5,8-11,15H,1-2,6-7,12-14H2

InChI Key

LXRGUMRJOXYGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.00

Polar Surface Area

64.842

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P047-0318 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P047-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0318?
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What is the minimum amount of P047-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0318
  • 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 P047-0318 available by request