3825-6895 Screening compound: 2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3825-6895 Screening compound: 2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3825-6895 Screening compound: 2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6895
2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-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

3825-6895

Molecular Formula

C24H15ClFN3O5 (C24 H15 ClFN3 O5)

Compound Name

2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(3-chloro-2-methylphenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(c(N(C(C1N(C(c(cc2)c3cc2[N+]([O-])=O)=O)C3=O)c2cc(F)ccc2)C1=O)ccc1)c1Cl

InChI

InChI=1S/C24H15ClFN3O5/c1-12-18(25)6-3-7-19(12)27-20(13-4-2-5-14(26)10-13)21(24(27)32)28-22(30)16-9-8-15(29(33)34)11-17(16)23(28)31/h2-11,20-21H,1H3

InChI Key

RVNQUUZONBESBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-5.10

Polar Surface Area

75.936

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

3825-6895 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3825-6895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6895?
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What is the minimum amount of 3825-6895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6895
  • 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 3825-6895 available by request