E020-0319 Screening compound: 4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

E020-0319 Screening compound: 4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
E020-0319 Screening compound: 4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0319
4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

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

E020-0319

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2ccc1)=NN(CC(N(CC1)CCN1c1ccccc1)=O)C2=O

InChI

InChI=1S/C19H21N5O2/c1-15-20-24(19(26)17-8-5-9-23(15)17)14-18(25)22-12-10-21(11-13-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3

InChI Key

QIYVIOPRVXLYTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-1.91

Polar Surface Area

49.951

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E020-0319 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 E020-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0319?
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What is the minimum amount of E020-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0319
  • 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 E020-0319 available by request