E020-0449 Screening compound: N-(3-acetylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

E020-0449 Screening compound: N-(3-acetylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide
E020-0449 Screening compound: N-(3-acetylphenyl)-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 E020-0449
N-(3-acetylphenyl)-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

E020-0449

Molecular Formula

C17H16N4O3 (C17 H16 N4 O3)

Compound Name

N-(3-acetylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

IUPAC name

N-(3-acetylphenyl)-2-{4-methyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl}acetamide

SMILES

CC(c1cccc(NC(CN(C2=O)N=C(C)n3c2ccc3)=O)c1)=O

InChI

InChI=1S/C17H16N4O3/c1-11(22)13-5-3-6-14(9-13)18-16(23)10-21-17(24)15-7-4-8-20(15)12(2)19-21/h3-9H,10H2,1-2H3,(H,18,23)

InChI Key

VRQQLVXLVOMMSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.57

Polar Surface Area

67.275

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E020-0449 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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 E020-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0449?
Check Price and Availability of E020-0449, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E020-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0449
  • 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 E020-0449 available by request