6061-0017 Screening compound: 2-(3,5-dimethylphenyl)-2,3-dihydro-1H-isoindole

6061-0017 Screening compound: 2-(3,5-dimethylphenyl)-2,3-dihydro-1H-isoindole
6061-0017 Screening compound: 2-(3,5-dimethylphenyl)-2,3-dihydro-1H-isoindole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6061-0017
2-(3,5-dimethylphenyl)-2,3-dihydro-1H-isoindole

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

6061-0017

Molecular Formula

C16H17N (C16 H17 N)

Compound Name

2-(3,5-dimethylphenyl)-2,3-dihydro-1H-isoindole

IUPAC name

2-(35-dimethylphenyl)-23-dihydro-1H-isoindole

SMILES

Cc1cc(N(C2)Cc3c2cccc3)cc(C)c1

InChI

InChI=1S/C16H17N/c1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17/h3-9H,10-11H2,1-2H3

InChI Key

XQMDUXLERZQIOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00100086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.32

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.37

Polar Surface Area

3.652

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

12.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6061-0017 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 6061-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6061-0017?
Check Price and Availability of 6061-0017, 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 6061-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6061-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6061-0017
  • 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 6061-0017 available by request