E019-1074 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(4-methylpiperazino)propyl]butanamide

E019-1074 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(4-methylpiperazino)propyl]butanamide
E019-1074 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(4-methylpiperazino)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1074
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(4-methylpiperazino)propyl]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

E019-1074

Molecular Formula

C23H31N5O2S (C23 H31 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCCCN1CCN(C)CC1)=O)C2=O

InChI

InChI=1S/C23H31N5O2S/c1-17-22-21(18-7-3-4-8-19(18)31-22)23(30)28(25-17)12-5-9-20(29)24-10-6-11-27-15-13-26(2)14-16-27/h3-4,7-8H,5-6,9-16H2,1-2H3,(H,24,29)

InChI Key

JLAXJBFJDWKNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.197

Distribution Coefficient, logD

-0.008

Water Solubility, LogSw

-2.27

Polar Surface Area

59.137

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

E019-1074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E019-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1074?
Check Price and Availability of E019-1074, 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 E019-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1074
  • 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 E019-1074 available by request