8016-3451 Screening compound: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

8016-3451 Screening compound: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
8016-3451 Screening compound: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3451
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]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

8016-3451

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

IUPAC name

2-(23-dihydro-1H-inden-5-yloxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

SMILES

Cc1nc2ccccc2c(CNC(COc2cc(CCC3)c3cc2)=O)c1

InChI

InChI=1S/C22H22N2O2/c1-15-11-18(20-7-2-3-8-21(20)24-15)13-23-22(25)14-26-19-10-9-16-5-4-6-17(16)12-19/h2-3,7-12H,4-6,13-14H2,1H3,(H,23,25)

InChI Key

GHDKADGWOCYNSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.20

Polar Surface Area

40.361

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8016-3451 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 8016-3451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3451?
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What is the minimum amount of 8016-3451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3451
  • 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 8016-3451 available by request