E019-1070 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1070 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1070 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1070
N~1~-(3,4-diethoxyphenethyl)-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

E019-1070

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-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

CCOc(ccc(CCNC(CCCN1N=C(C)c(sc2c3cccc2)c3C1=O)=O)c1)c1OCC

InChI

InChI=1S/C27H31N3O4S/c1-4-33-21-13-12-19(17-22(21)34-5-2)14-15-28-24(31)11-8-16-30-27(32)25-20-9-6-7-10-23(20)35-26(25)18(3)29-30/h6-7,9-10,12-13,17H,4-5,8,11,14-16H2,1-3H3,(H,28,31)

InChI Key

KMRKBJFZPOUQJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.27

Polar Surface Area

66.099

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E019-1070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E019-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1070?
Check Price and Availability of E019-1070, 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 E019-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1070
  • 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 E019-1070 available by request