E551-0114 Screening compound: N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide

E551-0114 Screening compound: N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
E551-0114 Screening compound: N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0114
N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide

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

E551-0114

Molecular Formula

C21H19N5O3S2 (C21 H19 N5 O3 S2)

Compound Name

N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide

IUPAC name

N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[124]triazolo[43-b]pyridazin-3-yl}ethyl)benzenesulfonamide

SMILES

O=C(CSc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)c1ccccc1

InChI

InChI=1S/C21H19N5O3S2/c27-18(16-7-3-1-4-8-16)15-30-21-12-11-19-23-24-20(26(19)25-21)13-14-22-31(28,29)17-9-5-2-6-10-17/h1-12,22H,13-15H2

InChI Key

JIIGVTSNAZVMSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.81

Polar Surface Area

87.581

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E551-0114 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E551-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0114?
Check Price and Availability of E551-0114, 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 E551-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0114
  • 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 E551-0114 available by request