E020-0459 Screening compound: N-(3-ethylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide

E020-0459 Screening compound: N-(3-ethylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetamide
E020-0459 Screening compound: N-(3-ethylphenyl)-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 E020-0459
N-(3-ethylphenyl)-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

E020-0459

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(NC(CN(C2=O)N=C(C)n3c2ccc3)=O)c1

InChI

InChI=1S/C17H18N4O2/c1-3-13-6-4-7-14(10-13)18-16(22)11-21-17(23)15-8-5-9-20(15)12(2)19-21/h4-10H,3,11H2,1-2H3,(H,18,22)

InChI Key

KPCIDPVFXONYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.09

Polar Surface Area

53.448

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with E020-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E020-0459?
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What is the minimum amount of E020-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E020-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E020-0459
  • 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 E020-0459 available by request