E547-0161 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

E547-0161 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine
E547-0161 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0161
3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

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

E547-0161

Molecular Formula

C15H11BrN2S2 (C15 H11 BrN2 S2)

Compound Name

3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

IUPAC name

3-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

SMILES

Brc1ccc(CSc(cc2)nnc2-c2cccs2)cc1

InChI

InChI=1S/C15H11BrN2S2/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2

InChI Key

XNXRTSIZZZOUIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.56

Polar Surface Area

21.818

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E547-0161 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E547-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0161?
Check Price and Availability of E547-0161, 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 E547-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0161
  • 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 E547-0161 available by request