E551-0104 Screening compound: ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate

E551-0104 Screening compound: ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate
E551-0104 Screening compound: ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0104
ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate

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

E551-0104

Molecular Formula

C18H21N5O4S2 (C18 H21 N5 O4 S2)

Compound Name

ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C18H21N5O4S2/c1-3-27-18(24)13(2)28-17-10-9-15-20-21-16(23(15)22-17)11-12-19-29(25,26)14-7-5-4-6-8-14/h4-10,13,19H,3,11-12H2,1-2H3/t13-/m0/s1

InChI Key

QUAYQPICUJQWNS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05961378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.79

Polar Surface Area

95.359

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E551-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E551-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0104?
Check Price and Availability of E551-0104, 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 E551-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0104
  • 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 E551-0104 available by request