E548-0241 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(pyridin-2-yl)pyridazine

E548-0241 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(pyridin-2-yl)pyridazine
E548-0241 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-6-(pyridin-2-yl)pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0241
3-{[(4-bromophenyl)methyl]sulfanyl}-6-(pyridin-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

E548-0241

Molecular Formula

C16H12BrN3S (C16 H12 BrN3 S)

Compound Name

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

IUPAC name

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

SMILES

Brc1ccc(CSc(cc2)nnc2-c2ncccc2)cc1

InChI

InChI=1S/C16H12BrN3S/c17-13-6-4-12(5-7-13)11-21-16-9-8-15(19-20-16)14-3-1-2-10-18-14/h1-10H,11H2

InChI Key

KSDIXEVRBGHYDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.01

Polar Surface Area

29.847

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

E548-0241 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 E548-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0241?
Check Price and Availability of E548-0241, 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 E548-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0241
  • 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 E548-0241 available by request