D579-0041 Screening compound: methyl 4-[2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamido]benzoate

D579-0041 Screening compound: methyl 4-[2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamido]benzoate
D579-0041 Screening compound: methyl 4-[2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0041
methyl 4-[2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamido]benzoate

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

D579-0041

Molecular Formula

C19H16N4O4 (C19 H16 N4 O4)

Compound Name

methyl 4-[2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamido]benzoate

IUPAC name

methyl 4-[2-(3-oxo-5-phenyl-23-dihydro-124-triazin-2-yl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CN1N=CC(c2ccccc2)=NC1=O)=O)=O

InChI

InChI=1S/C19H16N4O4/c1-27-18(25)14-7-9-15(10-8-14)21-17(24)12-23-19(26)22-16(11-20-23)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,24)

InChI Key

BXYJFXIQMMXVJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.03

Polar Surface Area

81.385

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D579-0041 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D579-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0041?
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What is the minimum amount of D579-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0041
  • 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 D579-0041 available by request