E549-0062 Screening compound: N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

E549-0062 Screening compound: N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide
E549-0062 Screening compound: N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0062
N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-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

E549-0062

Molecular Formula

C24H22N4O2S2 (C24 H22 N4 O2 S2)

Compound Name

N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1NC(CSc(cc1)nnc1-c1c(C)nc(-c2ccccc2)s1)=O

InChI

InChI=1S/C24H22N4O2S2/c1-3-30-19-11-9-18(10-12-19)26-21(29)15-31-22-14-13-20(27-28-22)23-16(2)25-24(32-23)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,26,29)

InChI Key

RBAPQSXEFANFOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.04

Polar Surface Area

61.383

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E549-0062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E549-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0062?
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What is the minimum amount of E549-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0062
  • 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 E549-0062 available by request