E020-0355 Screening compound: 4-methyl-2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

E020-0355 Screening compound: 4-methyl-2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
E020-0355 Screening compound: 4-methyl-2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0355
4-methyl-2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-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

E020-0355

Molecular Formula

C23H29N5O5 (C23 H29 N5 O5)

Compound Name

4-methyl-2-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

4-methyl-2-(2-oxo-2-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2ccc1)=NN(CC(N1CCN(Cc(ccc(OC)c3OC)c3OC)CC1)=O)C2=O

InChI

InChI=1S/C23H29N5O5/c1-16-24-28(23(30)18-6-5-9-27(16)18)15-20(29)26-12-10-25(11-13-26)14-17-7-8-19(31-2)22(33-4)21(17)32-3/h5-9H,10-15H2,1-4H3

InChI Key

SIXMAFRFMFTCFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-1.87

Polar Surface Area

73.296

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E020-0355 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E020-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0355?
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What is the minimum amount of E020-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0355
  • 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 E020-0355 available by request