E019-1047 Screening compound: N~1~-[4-(acetylamino)phenyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1047 Screening compound: N~1~-[4-(acetylamino)phenyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1047 Screening compound: N~1~-[4-(acetylamino)phenyl]-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1047
N~1~-[4-(acetylamino)phenyl]-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

E019-1047

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

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

IUPAC name

N-(4-acetamidophenyl)-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

CC(Nc(cc1)ccc1NC(CCCN1N=C(C)c(sc2c3cccc2)c3C1=O)=O)=O

InChI

InChI=1S/C23H22N4O3S/c1-14-22-21(18-6-3-4-7-19(18)31-22)23(30)27(26-14)13-5-8-20(29)25-17-11-9-16(10-12-17)24-15(2)28/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

LDUDSYGKAURJND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.748

Distribution Coefficient, logD

2.748

Water Solubility, LogSw

-3.27

Polar Surface Area

73.776

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E019-1047 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 E019-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1047?
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What is the minimum amount of E019-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1047
  • 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 E019-1047 available by request