P047-0231 Screening compound: 6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-2-phenethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

P047-0231 Screening compound: 6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-2-phenethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
P047-0231 Screening compound: 6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-2-phenethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0231
6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-2-phenethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-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

P047-0231

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-2-phenethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

IUPAC name

n/a

SMILES

O=C1N(C=C(C=C2)S(N(CC3)Cc4c3cccc4)(=O)=O)C2=NN1CCc1ccccc1

InChI

InChI=1S/C23H22N4O3S/c28-23-26-17-21(31(29,30)25-14-13-19-8-4-5-9-20(19)16-25)10-11-22(26)24-27(23)15-12-18-6-2-1-3-7-18/h1-11,17H,12-16H2

InChI Key

JGWBMDCDIZRSJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

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

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.53

Polar Surface Area

64.151

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

P047-0231 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 P047-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0231?
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What is the minimum amount of P047-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0231
  • 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 P047-0231 available by request