2940-3904 Screening compound: 2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

2940-3904 Screening compound: 2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
2940-3904 Screening compound: 2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2940-3904
2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

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

2940-3904

Molecular Formula

C25H18ClN3O6 (C25 H18 ClN3 O6)

Compound Name

2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-chloro-2-nitrophenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

CCOc1ccc(C(C(C2=O)N(C(c3c4cccc3)=O)C4=O)N2c(ccc(Cl)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C25H18ClN3O6/c1-2-35-16-10-7-14(8-11-16)21-22(28-23(30)17-5-3-4-6-18(17)24(28)31)25(32)27(21)19-12-9-15(26)13-20(19)29(33)34/h3-13,21-22H,2H2,1H3

InChI Key

XWZCOXLKXCJOHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.89

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.83

Polar Surface Area

82.759

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-10.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

2940-3904 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2940-3904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2940-3904?
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What is the minimum amount of 2940-3904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2940-3904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2940-3904
  • 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 2940-3904 available by request