E551-0286 Screening compound: 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

E551-0286 Screening compound: 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
E551-0286 Screening compound: 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0286
2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)-N-[4-(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

E551-0286

Molecular Formula

C23H21F3N6O4S2 (C23 H21 F3 N6 O4 S2)

Compound Name

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

IUPAC name

2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

COc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCC(Nc1ccc(C(F)(F)F)cc1)=O)(=O)=O

InChI

InChI=1S/C23H21F3N6O4S2/c1-36-17-6-8-18(9-7-17)38(34,35)27-13-12-20-30-29-19-10-11-22(31-32(19)20)37-14-21(33)28-16-4-2-15(3-5-16)23(24,25)26/h2-11,27H,12-14H2,1H3,(H,28,33)

InChI Key

LMBLPMFFYFFTEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.91

Polar Surface Area

105.027

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E551-0286 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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 E551-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0286?
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What is the minimum amount of E551-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0286
  • 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 E551-0286 available by request