E020-0617 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-ethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

E020-0617 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-ethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
E020-0617 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-ethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0617
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-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

E020-0617

Molecular Formula

C18H18N4O2 (C18 H18 N4 O2)

Compound Name

2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-ethyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

2-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-4-ethyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CCC(n1c2ccc1)=NN(CC(N(CC1)c3c1cccc3)=O)C2=O

InChI

InChI=1S/C18H18N4O2/c1-2-16-19-22(18(24)15-8-5-10-20(15)16)12-17(23)21-11-9-13-6-3-4-7-14(13)21/h3-8,10H,2,9,11-12H2,1H3

InChI Key

JULHLEYJSZVXMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-2.28

Polar Surface Area

46.813

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E020-0617 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E020-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E020-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0617
  • 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 E020-0617 available by request