6061-0090 Screening compound: ethyl 4-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoate

6061-0090 Screening compound: ethyl 4-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoate
6061-0090 Screening compound: ethyl 4-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6061-0090
ethyl 4-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoate

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

6061-0090

Molecular Formula

C19H21NO2 (C19 H21 NO2)

Compound Name

ethyl 4-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

ethyl 4-(56-dimethyl-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C1)Cc2c1cc(C)c(C)c2)=O

InChI

InChI=1S/C19H21NO2/c1-4-22-19(21)15-5-7-18(8-6-15)20-11-16-9-13(2)14(3)10-17(16)12-20/h5-10H,4,11-12H2,1-3H3

InChI Key

PCQNWFKYTDVERI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.27

Polar Surface Area

24.406

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6061-0090 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6061-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6061-0090?
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What is the minimum amount of 6061-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6061-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6061-0090
  • 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 6061-0090 available by request