1497-0050 Screening compound: 5,6-dimethyl-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

1497-0050 Screening compound: 5,6-dimethyl-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
1497-0050 Screening compound: 5,6-dimethyl-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1497-0050
5,6-dimethyl-2-phenyl-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

1497-0050

Molecular Formula

C16H17NO2 (C16 H17 NO2)

Compound Name

5,6-dimethyl-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

56-dimethyl-2-phenyl-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

CC(CC1C(N2c3ccccc3)=O)=C(C)CC1C2=O

InChI

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

InChI Key

SAIYFJONDMTTRN-UHFFFAOYSA-N

MDL Number (MFCD)

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

2.139

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-2.72

Polar Surface Area

29.072

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 1497-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1497-0050?
Check Price and Availability of 1497-0050, 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 1497-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1497-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1497-0050
  • 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 1497-0050 available by request