E549-0118 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

E549-0118 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one
E549-0118 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0118
1-(2,3-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

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

E549-0118

Molecular Formula

C24H20N4OS2 (C24 H20 N4 OS2)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[6-(4-methyl-2-phenyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

SMILES

Cc1c(-c(cc2)nnc2SCC(N(CC2)c3c2cccc3)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C24H20N4OS2/c1-16-23(31-24(25-16)18-8-3-2-4-9-18)19-11-12-21(27-26-19)30-15-22(29)28-14-13-17-7-5-6-10-20(17)28/h2-12H,13-15H2,1H3

InChI Key

LTRGGMJADWCGND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-4.57

Polar Surface Area

46.533

Acid Dissociation Constant (pKa)

19.67

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E549-0118 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E549-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0118?
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What is the minimum amount of E549-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0118
  • 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 E549-0118 available by request