E019-1141 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(4-propoxybenzyl)butanamide

E019-1141 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(4-propoxybenzyl)butanamide
E019-1141 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(4-propoxybenzyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1141
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(4-propoxybenzyl)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

E019-1141

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CNC(CCCN2N=C(C)c(sc3c4cccc3)c4C2=O)=O)cc1

InChI

InChI=1S/C25H27N3O3S/c1-3-15-31-19-12-10-18(11-13-19)16-26-22(29)9-6-14-28-25(30)23-20-7-4-5-8-21(20)32-24(23)17(2)27-28/h4-5,7-8,10-13H,3,6,9,14-16H2,1-2H3,(H,26,29)

InChI Key

RGKAXERIZRZEED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.15

Polar Surface Area

59.254

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E019-1141 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1141?
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What is the minimum amount of E019-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1141
  • 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 E019-1141 available by request