E548-0037 Screening compound: N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

E548-0037 Screening compound: N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide
E548-0037 Screening compound: N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0037
N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

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

E548-0037

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-methylphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc(cccc1)c1NC(CSc(cc1)nnc1-c1ncccc1)=O

InChI

InChI=1S/C18H16N4OS/c1-13-6-2-3-7-14(13)20-17(23)12-24-18-10-9-16(21-22-18)15-8-4-5-11-19-15/h2-11H,12H2,1H3,(H,20,23)

InChI Key

YENLQGKGORFBIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.58

Polar Surface Area

52.299

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E548-0037 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E548-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0037?
Check Price and Availability of E548-0037, 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 E548-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0037
  • 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 E548-0037 available by request