E019-0989 Screening compound: ethyl 4-({4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}amino)benzoate

E019-0989 Screening compound: ethyl 4-({4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}amino)benzoate
E019-0989 Screening compound: ethyl 4-({4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0989
ethyl 4-({4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}amino)benzoate

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

E019-0989

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

ethyl 4-({4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}amino)benzoate

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CCCN1N=C(C)c(sc2c3cccc2)c3C1=O)=O)=O

InChI

InChI=1S/C24H23N3O4S/c1-3-31-24(30)16-10-12-17(13-11-16)25-20(28)9-6-14-27-23(29)21-18-7-4-5-8-19(18)32-22(21)15(2)26-27/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,25,28)

InChI Key

FSPSIOQGYZMBEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.13

Polar Surface Area

71.268

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E019-0989 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E019-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0989?
Check Price and Availability of E019-0989, 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 E019-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0989
  • 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 E019-0989 available by request