E019-0555 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[4-(methylsulfanyl)phenethyl]propanamide

E019-0555 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[4-(methylsulfanyl)phenethyl]propanamide
E019-0555 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[4-(methylsulfanyl)phenethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0555
2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[4-(methylsulfanyl)phenethyl]propanamide

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

E019-0555

Molecular Formula

C23H23N3O2S2 (C23 H23 N3 O2 S2)

Compound Name

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

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-[4-(methylsulfanyl)phenyl]ethyl}propanamide

SMILES

CC(C(NCCc(cc1)ccc1SC)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C23H23N3O2S2/c1-14-21-20(18-6-4-5-7-19(18)30-21)23(28)26(25-14)15(2)22(27)24-13-12-16-8-10-17(29-3)11-9-16/h4-11,15H,12-13H2,1-3H3,(H,24,27)/t15-/m0/s1

InChI Key

UPOLHIMLAVPQLP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14839686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.39

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

26.10

E019-0555 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Human Kinases Annotated Library (2415 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 E019-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0555?
Check Price and Availability of E019-0555, 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 E019-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0555
  • 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 E019-0555 available by request