E547-0053 Screening compound: N-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamide

E547-0053 Screening compound: N-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamide
E547-0053 Screening compound: N-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0053
N-(4-methoxyphenyl)-2-{[6-(thiophen-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

E547-0053

Molecular Formula

C17H15N3O2S2 (C17 H15 N3 O2 S2)

Compound Name

N-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-methoxyphenyl)-2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1NC(CSc(cc1)nnc1-c1cccs1)=O

InChI

InChI=1S/C17H15N3O2S2/c1-22-13-6-4-12(5-7-13)18-16(21)11-24-17-9-8-14(19-20-17)15-3-2-10-23-15/h2-10H,11H2,1H3,(H,18,21)

InChI Key

FCRZIHLUHMBEAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.70

Polar Surface Area

52.511

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E547-0053 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 E547-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0053?
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What is the minimum amount of E547-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0053
  • 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 E547-0053 available by request