E717-0541 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

E717-0541 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
E717-0541 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0541
2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]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

E717-0541

Molecular Formula

C23H23N5O4S (C23 H23 N5 O4 S)

Compound Name

2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

IUPAC name

2-{4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

SMILES

O=C(CN(C1=O)N=Cc2c1[nH]c1c2cccc1)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C23H23N5O4S/c29-21(15-28-23(30)22-19(14-24-28)18-6-2-3-7-20(18)26-22)25-16-8-10-17(11-9-16)33(31,32)27-12-4-1-5-13-27/h2-3,6-11,14,26H,1,4-5,12-13,15H2,(H,25,29)

InChI Key

FILYWGFGVOVFAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.95

Polar Surface Area

93.301

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E717-0541 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Purinergic Library (3321 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E717-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0541?
Check Price and Availability of E717-0541, 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 E717-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0541
  • 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 E717-0541 available by request