8016-8948 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-1-one

8016-8948 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-1-one
8016-8948 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8948
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-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

8016-8948

Molecular Formula

C18H26N2O (C18 H26 N2 O)

Compound Name

1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-1-one

IUPAC name

1-(2-methyl-23-dihydro-1H-indol-1-yl)-3-(4-methylpiperidin-1-yl)propan-1-one

SMILES

CC(C1)N(C(CCN2CCC(C)CC2)=O)c2c1cccc2

InChI

InChI=1S/C18H26N2O/c1-14-7-10-19(11-8-14)12-9-18(21)20-15(2)13-16-5-3-4-6-17(16)20/h3-6,14-15H,7-13H2,1-2H3/t15-/m0/s1

InChI Key

MSPCZHXVHYTWGB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05860082

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

286.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-3.35

Polar Surface Area

18.311

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

8016-8948 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-8948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8948?
Check Price and Availability of 8016-8948, 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 8016-8948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8948
  • 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 8016-8948 available by request