4483-2816 Screening compound: 2-oxo-2-phenylethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

4483-2816 Screening compound: 2-oxo-2-phenylethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
4483-2816 Screening compound: 2-oxo-2-phenylethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2816
2-oxo-2-phenylethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)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

4483-2816

Molecular Formula

C24H23NO5 (C24 H23 NO5)

Compound Name

2-oxo-2-phenylethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

IUPAC name

2-oxo-2-phenylethyl 4-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)benzoate

SMILES

CC(CCC1C(N2c(cc3)ccc3C(OCC(c3ccccc3)=O)=O)=O)CC1C2=O

InChI

InChI=1S/C24H23NO5/c1-15-7-12-19-20(13-15)23(28)25(22(19)27)18-10-8-17(9-11-18)24(29)30-14-21(26)16-5-3-2-4-6-16/h2-6,8-11,15,19-20H,7,12-14H2,1H3

InChI Key

SPPNDCBQBHYBME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-3.60

Polar Surface Area

63.177

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

4483-2816 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 4483-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2816?
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What is the minimum amount of 4483-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2816
  • 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 4483-2816 available by request