8014-2011 Screening compound: 2-phenethyl-3-(phenethylamino)-1-isoindolinone

8014-2011 Screening compound: 2-phenethyl-3-(phenethylamino)-1-isoindolinone
8014-2011 Screening compound: 2-phenethyl-3-(phenethylamino)-1-isoindolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2011
2-phenethyl-3-(phenethylamino)-1-isoindolinone

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

8014-2011

Molecular Formula

C24H24N2O (C24 H24 N2 O)

Compound Name

2-phenethyl-3-(phenethylamino)-1-isoindolinone

IUPAC name

2-(2-phenylethyl)-3-[(2-phenylethyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(CCc1ccccc1)C2NCCc1ccccc1

InChI

InChI=1S/C24H24N2O/c27-24-22-14-8-7-13-21(22)23(25-17-15-19-9-3-1-4-10-19)26(24)18-16-20-11-5-2-6-12-20/h1-14,23,25H,15-18H2/t23-/m1/s1

InChI Key

RHZZAKVHTZHLJV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03488904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-4.33

Polar Surface Area

26.144

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8014-2011 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8014-2011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2011?
Check Price and Availability of 8014-2011, 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 8014-2011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2011
  • 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 8014-2011 available by request