D279-0058 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide

D279-0058 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide
D279-0058 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D279-0058
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide

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

D279-0058

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[3-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-1-yl]butanamide

SMILES

CCC(C(Nc(cc1)cc2c1OCCO2)=O)N(C(C=C1)=O)N=C1c1cc(C)c(C)cc1

InChI

InChI=1S/C24H25N3O4/c1-4-20(24(29)25-18-7-9-21-22(14-18)31-12-11-30-21)27-23(28)10-8-19(26-27)17-6-5-15(2)16(3)13-17/h5-10,13-14,20H,4,11-12H2,1-3H3,(H,25,29)/t20-/m0/s1

InChI Key

WUVOPSQMVRHSKJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD26967666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.04

Polar Surface Area

65.851

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D279-0058 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D279-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D279-0058?
Check Price and Availability of D279-0058, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D279-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D279-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D279-0058
  • 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 D279-0058 available by request