E551-0328 Screening compound: 4-methoxy-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide

E551-0328 Screening compound: 4-methoxy-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
E551-0328 Screening compound: 4-methoxy-N-[2-(6-{[(4-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0328
4-methoxy-N-[2-(6-{[(4-methylphenyl)methyl]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

E551-0328

Molecular Formula

C22H23N5O3S2 (C22 H23 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc(cc2)nn3c2nnc3CCNS(c(cc2)ccc2OC)(=O)=O)cc1

InChI

InChI=1S/C22H23N5O3S2/c1-16-3-5-17(6-4-16)15-31-22-12-11-20-24-25-21(27(20)26-22)13-14-23-32(28,29)19-9-7-18(30-2)8-10-19/h3-12,23H,13-15H2,1-2H3

InChI Key

WOTOIOYPCRUKEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.69

Polar Surface Area

81.878

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E551-0328 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E551-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0328?
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What is the minimum amount of E551-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0328
  • 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 E551-0328 available by request