4483-2251 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate

4483-2251 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate
4483-2251 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2251
4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 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

4483-2251

Molecular Formula

C21H19NO4 (C21 H19 NO4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)Oc(cc1)ccc1N(C(C1C2CCCC1)=O)C2=O

InChI

InChI=1S/C21H19NO4/c23-19-17-8-4-5-9-18(17)20(24)22(19)15-10-12-16(13-11-15)26-21(25)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2

InChI Key

LROILGIOCLCNLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.31

Polar Surface Area

49.450

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

4483-2251 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 4483-2251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2251?
Check Price and Availability of 4483-2251, 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 4483-2251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2251
  • 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 4483-2251 available by request