E717-0447 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0447 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0447 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0447
N-[3-(4-methylpiperidin-1-yl)propyl]-2-{4-oxo-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

E717-0447

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(CCCNC(CN(C2=O)N=Cc3c2[nH]c2c3cccc2)=O)CC1

InChI

InChI=1S/C21H27N5O2/c1-15-7-11-25(12-8-15)10-4-9-22-19(27)14-26-21(28)20-17(13-23-26)16-5-2-3-6-18(16)24-20/h2-3,5-6,13,15,24H,4,7-12,14H2,1H3,(H,22,27)

InChI Key

NRVRXRZGSCZONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

-1.149

Water Solubility, LogSw

-2.53

Polar Surface Area

66.736

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E717-0447 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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 E717-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0447?
Check Price and Availability of E717-0447, 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 E717-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0447
  • 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 E717-0447 available by request