E549-0046 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

E549-0046 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
E549-0046 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0046
2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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

E549-0046

Molecular Formula

C23H17F3N4OS2 (C23 H17 F3 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc2cc(C(F)(F)F)ccc2)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C23H17F3N4OS2/c1-14-21(33-22(27-14)15-6-3-2-4-7-15)18-10-11-20(30-29-18)32-13-19(31)28-17-9-5-8-16(12-17)23(24,25)26/h2-12H,13H2,1H3,(H,28,31)

InChI Key

HMNVHZXVYLDDKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.877

Distribution Coefficient, logD

5.876

Water Solubility, LogSw

-5.61

Polar Surface Area

54.259

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

E549-0046 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E549-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0046?
Check Price and Availability of E549-0046, 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 E549-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0046
  • 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 E549-0046 available by request