4483-1176 Screening compound: 2-(2,6-dimethylphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

4483-1176 Screening compound: 2-(2,6-dimethylphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
4483-1176 Screening compound: 2-(2,6-dimethylphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1176
2-(2,6-dimethylphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

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

4483-1176

Molecular Formula

C16H17NO2 (C16 H17 NO2)

Compound Name

2-(2,6-dimethylphenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-(26-dimethylphenyl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Cc1cccc(C)c1N(C(C1C2CC=CC1)=O)C2=O

InChI

InChI=1S/C16H17NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-7,12-13H,8-9H2,1-2H3

InChI Key

HPHVFBAPJDZKLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.01

Polar Surface Area

28.470

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

4483-1176 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4483-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1176?
Check Price and Availability of 4483-1176, 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 4483-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1176
  • 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 4483-1176 available by request