2940-3918 Screening compound: 2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

2940-3918 Screening compound: 2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
2940-3918 Screening compound: 2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2940-3918
2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-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

2940-3918

Molecular Formula

C25H17BrN2O5 (C25 H17 BrN2 O5)

Compound Name

2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(6-bromo-2H-13-benzodioxol-5-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)ccc1N(C(C1N(C(c2c3cccc2)=O)C3=O)c(cc2OCOc2c2)c2Br)C1=O

InChI

InChI=1S/C25H17BrN2O5/c1-13-6-8-14(9-7-13)27-21(17-10-19-20(11-18(17)26)33-12-32-19)22(25(27)31)28-23(29)15-4-2-3-5-16(15)24(28)30/h2-11,21-22H,12H2,1H3

InChI Key

SZZDMWGLMQKOET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.53

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

2940-3918 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2940-3918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2940-3918?
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What is the minimum amount of 2940-3918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2940-3918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2940-3918
  • 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 2940-3918 available by request