D579-0414 Screening compound: N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide

D579-0414 Screening compound: N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide
D579-0414 Screening compound: N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0414
N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-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

D579-0414

Molecular Formula

C19H15ClN4O3 (C19 H15 ClN4 O3)

Compound Name

N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide

IUPAC name

N-(4-acetylphenyl)-2-[5-(4-chlorophenyl)-3-oxo-23-dihydro-124-triazin-2-yl]acetamide

SMILES

CC(c(cc1)ccc1NC(CN1N=CC(c(cc2)ccc2Cl)=NC1=O)=O)=O

InChI

InChI=1S/C19H15ClN4O3/c1-12(25)13-4-8-16(9-5-13)22-18(26)11-24-19(27)23-17(10-21-24)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,22,26)

InChI Key

PLASYEAXZAYRJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.57

Polar Surface Area

74.038

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D579-0414 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D579-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0414?
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What is the minimum amount of D579-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0414
  • 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 D579-0414 available by request