Y042-1343 Screening compound: 2-[3-(3-methoxyphenyl)-6-oxo-1(6H)-pyridazinyl]-N-[(1S)-3-methyl-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylbutyl]acetamide

Y042-1343 Screening compound: 2-[3-(3-methoxyphenyl)-6-oxo-1(6H)-pyridazinyl]-N-[(1S)-3-methyl-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylbutyl]acetamide
Y042-1343 Screening compound: 2-[3-(3-methoxyphenyl)-6-oxo-1(6H)-pyridazinyl]-N-[(1S)-3-methyl-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylbutyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1343
2-[3-(3-methoxyphenyl)-6-oxo-1(6H)-pyridazinyl]-N-[(1S)-3-methyl-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylbutyl]acetamide

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

Y042-1343

Molecular Formula

C24H26N6O3 (C24 H26 N6 O3)

Compound Name

2-[3-(3-methoxyphenyl)-6-oxo-1(6H)-pyridazinyl]-N-[(1S)-3-methyl-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylbutyl]acetamide

IUPAC name

2-[3-(3-methoxyphenyl)-6-oxo-16-dihydropyridazin-1-yl]-N-[(1S)-3-methyl-1-{[124]triazolo[43-a]pyridin-3-yl}butyl]acetamide

SMILES

CC(C)CC(c1nnc2n1cccc2)NC(CN(C(C=C1)=O)N=C1c1cc(OC)ccc1)=O

InChI

InChI=1S/C24H26N6O3/c1-16(2)13-20(24-27-26-21-9-4-5-12-29(21)24)25-22(31)15-30-23(32)11-10-19(28-30)17-7-6-8-18(14-17)33-3/h4-12,14,16,20H,13,15H2,1-3H3,(H,25,31)/t20-/m0/s1

InChI Key

FTQGYCMTQVAHRC-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.88

Polar Surface Area

81.803

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

Y042-1343 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y042-1343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1343?
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What is the minimum amount of Y042-1343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1343
  • 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 Y042-1343 available by request