D718-0577 Screening compound: 1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethan-1-one

D718-0577 Screening compound: 1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethan-1-one
D718-0577 Screening compound: 1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0577
1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethan-1-one

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

D718-0577

Molecular Formula

C16H20N2O (C16 H20 N2 O)

Compound Name

1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

n/a

SMILES

CC1CCN(CC(c2c[nH]c3c2cccc3)=O)CC1

InChI

InChI=1S/C16H20N2O/c1-12-6-8-18(9-7-12)11-16(19)14-10-17-15-5-3-2-4-13(14)15/h2-5,10,12,17H,6-9,11H2,1H3

InChI Key

HRYJRDFXQFQHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-3.32

Polar Surface Area

27.089

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D718-0577 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D718-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0577?
Check Price and Availability of D718-0577, 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 D718-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0577
  • 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 D718-0577 available by request