E547-0119 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[6-(2-thienyl)-3-pyridazinyl]sulfanyl}-1-ethanone

E547-0119 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[6-(2-thienyl)-3-pyridazinyl]sulfanyl}-1-ethanone
E547-0119 Screening compound: 1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[6-(2-thienyl)-3-pyridazinyl]sulfanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0119
1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[6-(2-thienyl)-3-pyridazinyl]sulfanyl}-1-ethanone

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

E547-0119

Molecular Formula

C19H17N3OS2 (C19 H17 N3 OS2)

Compound Name

1-[3,4-dihydro-1(2H)-quinolinyl]-2-{[6-(2-thienyl)-3-pyridazinyl]sulfanyl}-1-ethanone

IUPAC name

n/a

SMILES

O=C(CSc(cc1)nnc1-c1cccs1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C19H17N3OS2/c23-19(22-11-3-6-14-5-1-2-7-16(14)22)13-25-18-10-9-15(20-21-18)17-8-4-12-24-17/h1-2,4-5,7-10,12H,3,6,11,13H2

InChI Key

MUBVTGATAWFVCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.95

Polar Surface Area

36.875

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E547-0119 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E547-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0119?
Check Price and Availability of E547-0119, 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 E547-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0119
  • 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 E547-0119 available by request