E717-0363 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0363 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0363 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-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 E717-0363
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-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

E717-0363

Molecular Formula

C28H32FN5O2 (C28 H32 FN5 O2)

Compound Name

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

IUPAC name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-{4-oxo-5-propyl-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

CCCn1c(C(N(CC(NCC2CCN(Cc(cccc3)c3F)CC2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C28H32FN5O2/c1-2-13-33-25-10-6-4-8-22(25)23-17-31-34(28(36)27(23)33)19-26(35)30-16-20-11-14-32(15-12-20)18-21-7-3-5-9-24(21)29/h3-10,17,20H,2,11-16,18-19H2,1H3,(H,30,35)

InChI Key

CJEZJGLXYDTXSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-3.96

Polar Surface Area

57.526

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

E717-0363 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E717-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0363?
Check Price and Availability of E717-0363, 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 E717-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0363
  • 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 E717-0363 available by request