E019-0605 Screening compound: 2-(1-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

E019-0605 Screening compound: 2-(1-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
E019-0605 Screening compound: 2-(1-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0605
2-(1-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

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

E019-0605

Molecular Formula

C26H27ClN4O2S (C26 H27 ClN4 O2 S)

Compound Name

2-(1-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

IUPAC name

4-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-6-methyl-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-3-one

SMILES

CCC(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C26H27ClN4O2S/c1-4-20(25(32)30-13-11-29(12-14-30)21-15-18(27)10-9-16(21)2)31-26(33)23-19-7-5-6-8-22(19)34-24(23)17(3)28-31/h5-10,15,20H,4,11-14H2,1-3H3/t20-/m0/s1

InChI Key

LYPHLCHKFOHNDD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14839710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.995

Water Solubility, LogSw

-6.14

Polar Surface Area

45.384

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

E019-0605 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 E019-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0605?
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What is the minimum amount of E019-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0605
  • 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 E019-0605 available by request