4483-3107 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

4483-3107 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate
4483-3107 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3107
2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

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

4483-3107

Molecular Formula

C25H18ClNO5 (C25 H18 ClNO5)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanoate

SMILES

O=C(COC(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C25H18ClNO5/c26-18-12-10-17(11-13-18)22(28)15-32-25(31)21(14-16-6-2-1-3-7-16)27-23(29)19-8-4-5-9-20(19)24(27)30/h1-13,21H,14-15H2/t21-/m0/s1

InChI Key

QNVJEYMUDVBBPY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02914479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-5.49

Polar Surface Area

62.521

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

4483-3107 in Drug Discovery

Included in Screening Libraries

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

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 4483-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3107?
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What is the minimum amount of 4483-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3107
  • 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 4483-3107 available by request