D327-0096 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-2,3-dihydropyridazin-3-one

D327-0096 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-2,3-dihydropyridazin-3-one
D327-0096 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D327-0096
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-2,3-dihydropyridazin-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

D327-0096

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-oxo-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-2,3-dihydropyridazin-3-one

IUPAC name

6-(23-dihydro-14-benzodioxin-6-yl)-2-[1-oxo-1-(1234-tetrahydroquinolin-1-yl)propan-2-yl]-23-dihydropyridazin-3-one

SMILES

CC(C(N(CCC1)c2c1cccc2)=O)N(C(C=C1)=O)N=C1c(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H23N3O4/c1-16(24(29)26-12-4-6-17-5-2-3-7-20(17)26)27-23(28)11-9-19(25-27)18-8-10-21-22(15-18)31-14-13-30-21/h2-3,5,7-11,15-16H,4,6,12-14H2,1H3/t16-/m0/s1

InChI Key

ZAZQHNKQRYEVBH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27580167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.32

Polar Surface Area

58.488

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D327-0096 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D327-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D327-0096?
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What is the minimum amount of D327-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D327-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D327-0096
  • 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 D327-0096 available by request