E551-0042 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

E551-0042 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
E551-0042 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0042
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)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

E551-0042

Molecular Formula

C23H24N6O5S2 (C23 H24 N6 O5 S2)

Compound Name

2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

IUPAC name

2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CSc(cc2)nn3c2nnc3CCNS(c2ccccc2)(=O)=O)=O)c1OC

InChI

InChI=1S/C23H24N6O5S2/c1-33-16-8-9-19(34-2)18(14-16)25-22(30)15-35-23-11-10-20-26-27-21(29(20)28-23)12-13-24-36(31,32)17-6-4-3-5-7-17/h3-11,14,24H,12-13,15H2,1-2H3,(H,25,30)

InChI Key

XMBVOKXATKDQNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-3.04

Polar Surface Area

111.960

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E551-0042 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E551-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0042?
Check Price and Availability of E551-0042, 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 E551-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0042
  • 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 E551-0042 available by request