4483-2254 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

4483-2254 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate
4483-2254 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2254
3-(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

4483-2254

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

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

IUPAC name

3-(13-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-phenylacetate

SMILES

O=C(Cc1ccccc1)Oc1cccc(N(C(C2C3CCCC2)=O)C3=O)c1

InChI

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

InChI Key

QCRLPBRSJDDNLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363074

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

3.267

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.52

Polar Surface Area

48.855

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

4483-2254 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4483-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2254?
Check Price and Availability of 4483-2254, 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 4483-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2254
  • 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 4483-2254 available by request