E551-0130 Screening compound: 4-methyl-N-[2-(6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide

E551-0130 Screening compound: 4-methyl-N-[2-(6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
E551-0130 Screening compound: 4-methyl-N-[2-(6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0130
4-methyl-N-[2-(6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide

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

E551-0130

Molecular Formula

C25H26N6O3S2 (C25 H26 N6 O3 S2)

Compound Name

4-methyl-N-[2-(6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[2-(6-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-[124]triazolo[43-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCC(N(CCC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C25H26N6O3S2/c1-18-8-10-20(11-9-18)36(33,34)26-15-14-23-28-27-22-12-13-24(29-31(22)23)35-17-25(32)30-16-4-6-19-5-2-3-7-21(19)30/h2-3,5,7-13,26H,4,6,14-17H2,1H3

InChI Key

LHXLDQAYLHSZNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.86

Polar Surface Area

89.391

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E551-0130 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with E551-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0130?
Check Price and Availability of E551-0130, 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 E551-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0130
  • 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 E551-0130 available by request