E020-0454 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

E020-0454 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide
E020-0454 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E020-0454
N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

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

E020-0454

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}acetamide

SMILES

CC(n1c2ccc1)=NN(CC(NCc(cccc1)c1OC)=O)C2=O

InChI

InChI=1S/C17H18N4O3/c1-12-19-21(17(23)14-7-5-9-20(12)14)11-16(22)18-10-13-6-3-4-8-15(13)24-2/h3-9H,10-11H2,1-2H3,(H,18,22)

InChI Key

ACEKSTAULYBJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.38

Polar Surface Area

62.401

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E020-0454 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with E020-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0454?
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What is the minimum amount of E020-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0454
  • 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 E020-0454 available by request