4483-2341 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

4483-2341 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
4483-2341 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2341
2-[4-(3-methylphenoxy)phenyl]-2,3,3a,4,7,7a-hexahydro-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

4483-2341

Molecular Formula

C21H19NO3 (C21 H19 NO3)

Compound Name

2-[4-(3-methylphenoxy)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(3-methylphenoxy)phenyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Cc1cccc(Oc(cc2)ccc2N(C(C2C3CC=CC2)=O)C3=O)c1

InChI

InChI=1S/C21H19NO3/c1-14-5-4-6-17(13-14)25-16-11-9-15(10-12-16)22-20(23)18-7-2-3-8-19(18)21(22)24/h2-6,9-13,18-19H,7-8H2,1H3

InChI Key

VNJWARKBEPNOEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01616475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.55

Polar Surface Area

35.820

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

4483-2341 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 4483-2341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2341?
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What is the minimum amount of 4483-2341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2341
  • 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 4483-2341 available by request