6061-0042 Screening compound: 2-(3-chloro-4-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole

6061-0042 Screening compound: 2-(3-chloro-4-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole
6061-0042 Screening compound: 2-(3-chloro-4-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-isoindole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6061-0042
2-(3-chloro-4-methylphenyl)-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

6061-0042

Molecular Formula

C17H18ClN (C17 H18 ClN)

Compound Name

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

IUPAC name

2-(3-chloro-4-methylphenyl)-56-dimethyl-23-dihydro-1H-isoindole

SMILES

Cc(ccc(N(C1)Cc2c1cc(C)c(C)c2)c1)c1Cl

InChI

InChI=1S/C17H18ClN/c1-11-4-5-16(8-17(11)18)19-9-14-6-12(2)13(3)7-15(14)10-19/h4-8H,9-10H2,1-3H3

InChI Key

GZBPRLLQCMPLGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04527299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.79

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

5.760

Distribution Coefficient, logD

5.760

Water Solubility, LogSw

-6.09

Polar Surface Area

3.652

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6061-0042 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 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 6061-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6061-0042?
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What is the minimum amount of 6061-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6061-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6061-0042
  • 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 6061-0042 available by request