E019-0432 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylpropanamide

E019-0432 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylpropanamide
E019-0432 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0432
2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-phenethylpropanamide

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

E019-0432

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

2-{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)propanamide

SMILES

CC(C(NCCc1ccccc1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C22H21N3O2S/c1-14-20-19(17-10-6-7-11-18(17)28-20)22(27)25(24-14)15(2)21(26)23-13-12-16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3,(H,23,26)/t15-/m0/s1

InChI Key

HCFKDSNVAPDCMX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14839642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.24

Polar Surface Area

50.446

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

E019-0432 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 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

References: we are preparing a list of scientific research reports with E019-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0432?
Check Price and Availability of E019-0432, 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 E019-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0432
  • 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 E019-0432 available by request