E551-0344 Screening compound: methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate

E551-0344 Screening compound: methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate
E551-0344 Screening compound: methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0344
methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate

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

E551-0344

Molecular Formula

C19H23N5O5S2 (C19 H23 N5 O5 S2)

Compound Name

methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate

IUPAC name

methyl 2-({3-[2-(4-methoxybenzenesulfonamido)ethyl]-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)butanoate

SMILES

CCC(C(OC)=O)Sc(cc1)nn2c1nnc2CCNS(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C19H23N5O5S2/c1-4-15(19(25)29-3)30-18-10-9-16-21-22-17(24(16)23-18)11-12-20-31(26,27)14-7-5-13(28-2)6-8-14/h5-10,15,20H,4,11-12H2,1-3H3/t15-/m0/s1

InChI Key

GMOMYJOHFKSMFP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05961566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.92

Polar Surface Area

103.323

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

E551-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E551-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0344?
Check Price and Availability of E551-0344, 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 E551-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0344
  • 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 E551-0344 available by request