E020-1541 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

E020-1541 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
E020-1541 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-1541
2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-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

E020-1541

Molecular Formula

C20H22ClN5O2 (C20 H22 ClN5 O2)

Compound Name

2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)N(C1=O)N=Cn2c1ccc2

InChI

InChI=1S/C20H22ClN5O2/c1-14-5-6-16(21)12-18(14)23-8-10-24(11-9-23)19(27)15(2)26-20(28)17-4-3-7-25(17)13-22-26/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1

InChI Key

RWZDJPLDPVDFDP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14840193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

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

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.24

Polar Surface Area

49.864

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

E020-1541 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E020-1541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-1541?
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What is the minimum amount of E020-1541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-1541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-1541
  • 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 E020-1541 available by request