E019-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)piperazino]-1-methyl-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

E019-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)piperazino]-1-methyl-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
E019-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)piperazino]-1-methyl-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0298
2-{2-[4-(4-chlorophenyl)piperazino]-1-methyl-2-oxoethyl}-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

E019-0298

Molecular Formula

C24H23ClN4O2S (C24 H23 ClN4 O2 S)

Compound Name

2-{2-[4-(4-chlorophenyl)piperazino]-1-methyl-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

IUPAC name

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

SMILES

CC(C(N(CC1)CCN1c(cc1)ccc1Cl)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C24H23ClN4O2S/c1-15-22-21(19-5-3-4-6-20(19)32-22)24(31)29(26-15)16(2)23(30)28-13-11-27(12-14-28)18-9-7-17(25)8-10-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1

InChI Key

DMKRMTHIDREXCU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14839573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-5.11

Polar Surface Area

46.100

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

E019-0298 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0298?
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What is the minimum amount of E019-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0298
  • 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 E019-0298 available by request