6061-0080 Screening compound: 2-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole

6061-0080 Screening compound: 2-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole
6061-0080 Screening compound: 2-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6061-0080
2-(5-chloro-2-methoxyphenyl)-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

6061-0080

Molecular Formula

C17H18ClNO (C17 H18 ClNO)

Compound Name

2-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole

IUPAC name

2-(5-chloro-2-methoxyphenyl)-56-dimethyl-23-dihydro-1H-isoindole

SMILES

Cc1cc(CN(C2)c(cc(cc3)Cl)c3OC)c2cc1C

InChI

InChI=1S/C17H18ClNO/c1-11-6-13-9-19(10-14(13)7-12(11)2)16-8-15(18)4-5-17(16)20-3/h4-8H,9-10H2,1-3H3

InChI Key

BERNVZRKVJGMHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.79

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-5.05

Polar Surface Area

10.982

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6061-0080 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6061-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6061-0080?
Check Price and Availability of 6061-0080, 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 6061-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6061-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6061-0080
  • 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 6061-0080 available by request