E019-1090 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1090 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1090 Screening compound: N~1~-[3-(4-ethylpiperazino)propyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1090
N~1~-[3-(4-ethylpiperazino)propyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

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

E019-1090

Molecular Formula

C24H33N5O2S (C24 H33 N5 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanamide

SMILES

CCN1CCN(CCCNC(CCCN2N=C(C)c(sc3c4cccc3)c4C2=O)=O)CC1

InChI

InChI=1S/C24H33N5O2S/c1-3-27-14-16-28(17-15-27)12-7-11-25-21(30)10-6-13-29-24(31)22-19-8-4-5-9-20(19)32-23(22)18(2)26-29/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,25,30)

InChI Key

GTASOBUGKZKYQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.541

Distribution Coefficient, logD

0.593

Water Solubility, LogSw

-2.37

Polar Surface Area

59.197

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

E019-1090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 E019-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1090?
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What is the minimum amount of E019-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1090
  • 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 E019-1090 available by request