E548-0244 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

E548-0244 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide
E548-0244 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0244
N-(3,5-dimethoxyphenyl)-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

E548-0244

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

COc1cc(NC(CSc(cc2)nnc2-c2ncccc2)=O)cc(OC)c1

InChI

InChI=1S/C19H18N4O3S/c1-25-14-9-13(10-15(11-14)26-2)21-18(24)12-27-19-7-6-17(22-23-19)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,21,24)

InChI Key

QLBPSZYWVMRQRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.656

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-3.11

Polar Surface Area

68.084

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E548-0244 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E548-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0244?
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What is the minimum amount of E548-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0244
  • 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 E548-0244 available by request