E019-0999 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylbutanamide

E019-0999 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylbutanamide
E019-0999 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0999
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylbutanamide

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

E019-0999

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

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

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-(2-phenylethyl)butanamide

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCCc1ccccc1)=O)C2=O

InChI

InChI=1S/C23H23N3O2S/c1-16-22-21(18-10-5-6-11-19(18)29-22)23(28)26(25-16)15-7-12-20(27)24-14-13-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,24,27)

InChI Key

TXWPETPNGCZJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.34

Polar Surface Area

51.678

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E019-0999 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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 E019-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0999?
Check Price and Availability of E019-0999, 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 E019-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0999
  • 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 E019-0999 available by request