4483-2771 Screening compound: 3-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate

4483-2771 Screening compound: 3-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate
4483-2771 Screening compound: 3-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2771
3-(5-methyl-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

4483-2771

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

3-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate

IUPAC name

3-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzoate

SMILES

CC(CCC1C(N2c3cc(OC(c4ccccc4)=O)ccc3)=O)CC1C2=O

InChI

InChI=1S/C22H21NO4/c1-14-10-11-18-19(12-14)21(25)23(20(18)24)16-8-5-9-17(13-16)27-22(26)15-6-3-2-4-7-15/h2-9,13-14,18-19H,10-12H2,1H3

InChI Key

XPEWGBFEFDMETC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020253

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.73

Polar Surface Area

49.450

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.80

4483-2771 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 4483-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2771?
Check Price and Availability of 4483-2771, 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 4483-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2771
  • 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 4483-2771 available by request