E717-0011 Screening compound: N-cyclohexyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0011 Screening compound: N-cyclohexyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0011 Screening compound: N-cyclohexyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0011
N-cyclohexyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}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

E717-0011

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

N-cyclohexyl-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

IUPAC name

N-cyclohexyl-2-{4-oxo-5-propyl-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

CCCn1c(C(N(CC(NC2CCCCC2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C21H26N4O2/c1-2-12-24-18-11-7-6-10-16(18)17-13-22-25(21(27)20(17)24)14-19(26)23-15-8-4-3-5-9-15/h6-7,10-11,13,15H,2-5,8-9,12,14H2,1H3,(H,23,26)

InChI Key

QAQBTNCTXJOLFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.48

Polar Surface Area

53.518

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E717-0011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E717-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0011?
Check Price and Availability of E717-0011, 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 E717-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0011
  • 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 E717-0011 available by request