D279-0114 Screening compound: 2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-fluorophenyl)acetamide

D279-0114 Screening compound: 2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-fluorophenyl)acetamide
D279-0114 Screening compound: 2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D279-0114
2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-fluorophenyl)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

D279-0114

Molecular Formula

C20H18FN3O2 (C20 H18 FN3 O2)

Compound Name

2-[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-fluorophenyl)acetamide

IUPAC name

2-[3-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-1-yl]-N-(2-fluorophenyl)acetamide

SMILES

Cc(cc1)c(C)cc1C(C=C1)=NN(CC(Nc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C20H18FN3O2/c1-13-7-8-15(11-14(13)2)17-9-10-20(26)24(23-17)12-19(25)22-18-6-4-3-5-16(18)21/h3-11H,12H2,1-2H3,(H,22,25)

InChI Key

NHOOOWAEUGZAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08041865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.05

Polar Surface Area

50.999

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D279-0114 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D279-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D279-0114?
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What is the minimum amount of D279-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D279-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D279-0114
  • 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 D279-0114 available by request