E549-0116 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

E549-0116 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
E549-0116 Screening compound: 2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0116
2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-1-(morpholin-4-yl)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

E549-0116

Molecular Formula

C20H20N4O2S2 (C20 H20 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(N2CCOCC2)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C20H20N4O2S2/c1-14-19(28-20(21-14)15-5-3-2-4-6-15)16-7-8-17(23-22-16)27-13-18(25)24-9-11-26-12-10-24/h2-8H,9-13H2,1H3

InChI Key

VQBMBEBTGULRIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.01

Polar Surface Area

55.411

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E549-0116 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E549-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0116?
Check Price and Availability of E549-0116, 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 E549-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0116
  • 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 E549-0116 available by request