E019-1011 Screening compound: N~1~-(3-methoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1011 Screening compound: N~1~-(3-methoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1011 Screening compound: N~1~-(3-methoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1011
N~1~-(3-methoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

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

E019-1011

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCc1cc(OC)ccc1)=O)C2=O

InChI

InChI=1S/C23H23N3O3S/c1-15-22-21(18-9-3-4-10-19(18)30-22)23(28)26(25-15)12-6-11-20(27)24-14-16-7-5-8-17(13-16)29-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,24,27)

InChI Key

NEPCTPJQIWLWER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.75

Polar Surface Area

59.380

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E019-1011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E019-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1011?
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What is the minimum amount of E019-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1011
  • 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 E019-1011 available by request