E019-0296 Screening compound: N~1~-(4-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide

E019-0296 Screening compound: N~1~-(4-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide
E019-0296 Screening compound: N~1~-(4-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0296
N~1~-(4-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-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

E019-0296

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

N~1~-(4-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}acetamide

SMILES

CCOc1ccc(CNC(CN2N=C(C)c(sc3c4cccc3)c4C2=O)=O)cc1

InChI

InChI=1S/C22H21N3O3S/c1-3-28-16-10-8-15(9-11-16)12-23-19(26)13-25-22(27)20-17-6-4-5-7-18(17)29-21(20)14(2)24-25/h4-11H,3,12-13H2,1-2H3,(H,23,26)

InChI Key

VOKWJVFDBWPHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.11

Polar Surface Area

58.982

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E019-0296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E019-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0296?
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What is the minimum amount of E019-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0296
  • 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 E019-0296 available by request