6061-0022 Screening compound: 2-(4-ethylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole

6061-0022 Screening compound: 2-(4-ethylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole
6061-0022 Screening compound: 2-(4-ethylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6061-0022
2-(4-ethylphenyl)-5,6-dimethyl-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

6061-0022

Molecular Formula

C18H21N (C18 H21 N)

Compound Name

2-(4-ethylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole

IUPAC name

2-(4-ethylphenyl)-56-dimethyl-23-dihydro-1H-isoindole

SMILES

CCc(cc1)ccc1N(C1)Cc2c1cc(C)c(C)c2

InChI

InChI=1S/C18H21N/c1-4-15-5-7-18(8-6-15)19-11-16-9-13(2)14(3)10-17(16)12-19/h5-10H,4,11-12H2,1-3H3

InChI Key

BONVJKLWHCRPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04604133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.37

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.58

Polar Surface Area

3.652

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6061-0022 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6061-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6061-0022?
Check Price and Availability of 6061-0022, 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 6061-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6061-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6061-0022
  • 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 6061-0022 available by request