E547-0113 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

E547-0113 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one
E547-0113 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0113
1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-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

E547-0113

Molecular Formula

C20H20N4OS2 (C20 H20 N4 OS2)

Compound Name

1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-phenylpiperazin-1-yl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc(cc1)nnc1-c1cccs1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H20N4OS2/c25-20(24-12-10-23(11-13-24)16-5-2-1-3-6-16)15-27-19-9-8-17(21-22-19)18-7-4-14-26-18/h1-9,14H,10-13,15H2

InChI Key

NZZFPXYINKKAAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.40

Polar Surface Area

41.470

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E547-0113 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E547-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0113?
Check Price and Availability of E547-0113, 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 E547-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0113
  • 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 E547-0113 available by request