E019-0869 Screening compound: ethyl 1-{4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}-4-piperidinecarboxylate

E019-0869 Screening compound: ethyl 1-{4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}-4-piperidinecarboxylate
E019-0869 Screening compound: ethyl 1-{4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0869
ethyl 1-{4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoyl}-4-piperidinecarboxylate

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

E019-0869

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CCCN1N=C(C)c(sc2c3cccc2)c3C1=O)=O)=O

InChI

InChI=1S/C23H27N3O4S/c1-3-30-23(29)16-10-13-25(14-11-16)19(27)9-6-12-26-22(28)20-17-7-4-5-8-18(17)31-21(20)15(2)24-26/h4-5,7-8,16H,3,6,9-14H2,1-2H3

InChI Key

GLQIGDQODNNBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.04

Polar Surface Area

64.511

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E019-0869 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E019-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0869?
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What is the minimum amount of E019-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0869
  • 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 E019-0869 available by request