E551-0046 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

E551-0046 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
E551-0046 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0046
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[2-(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

E551-0046

Molecular Formula

C22H19F3N6O3S2 (C22 H19 F3 N6 O3 S2)

Compound Name

2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C22H19F3N6O3S2/c23-22(24,25)16-8-4-5-9-17(16)27-20(32)14-35-21-11-10-18-28-29-19(31(18)30-21)12-13-26-36(33,34)15-6-2-1-3-7-15/h1-11,26H,12-14H2,(H,27,32)

InChI Key

ZBZGGNLFAADGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.80

Polar Surface Area

96.786

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E551-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E551-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0046?
Check Price and Availability of E551-0046, 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 E551-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0046
  • 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 E551-0046 available by request