3285-2201 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

3285-2201 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate
3285-2201 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3285-2201
4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

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

3285-2201

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

IUPAC name

4-(13-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

SMILES

O=C(Cc1ccccc1)Oc(cc1)ccc1N(C(C1C2CCCC1)=O)C2=O

InChI

InChI=1S/C22H21NO4/c24-20(14-15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)23-21(25)18-8-4-5-9-19(18)22(23)26/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2

InChI Key

JYVHMHILUWCKBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.37

Polar Surface Area

48.855

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

3285-2201 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3285-2201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3285-2201?
Check Price and Availability of 3285-2201, 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 3285-2201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3285-2201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3285-2201
  • 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 3285-2201 available by request