D579-0026 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

D579-0026 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide
D579-0026 Screening compound: N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0026
N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)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

D579-0026

Molecular Formula

C18H15ClN4O2 (C18 H15 ClN4 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-23-dihydro-124-triazin-2-yl)acetamide

SMILES

Cc(c(NC(CN1N=CC(c2ccccc2)=NC1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C18H15ClN4O2/c1-12-14(19)8-5-9-15(12)21-17(24)11-23-18(25)22-16(10-20-23)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,24)

InChI Key

CYHRTAFYEPADMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.61

Polar Surface Area

59.513

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D579-0026 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D579-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0026?
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What is the minimum amount of D579-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0026
  • 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 D579-0026 available by request