E717-0076 Screening compound: ethyl 1-(2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

E717-0076 Screening compound: ethyl 1-(2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate
E717-0076 Screening compound: ethyl 1-(2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0076
ethyl 1-(2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

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

E717-0076

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

ethyl 1-(2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{4-oxo-5-propyl-3H4H5H-pyridazino[45-b]indol-3-yl}acetyl)piperidine-3-carboxylate

SMILES

CCCn1c(C(N(CC(N(CCC2)CC2C(OCC)=O)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C23H28N4O4/c1-3-11-26-19-10-6-5-9-17(19)18-13-24-27(22(29)21(18)26)15-20(28)25-12-7-8-16(14-25)23(30)31-4-2/h5-6,9-10,13,16H,3-4,7-8,11-12,14-15H2,1-2H3/t16-/m0/s1

InChI Key

OQOFNBKOUURDPX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14912020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.38

Polar Surface Area

66.401

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

E717-0076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with E717-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0076?
Check Price and Availability of E717-0076, 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 E717-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0076
  • 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 E717-0076 available by request