5782-4336 Screening compound: 2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-1H-isoindole-1,3-dione

5782-4336 Screening compound: 2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-1H-isoindole-1,3-dione
5782-4336 Screening compound: 2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4336
2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-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

5782-4336

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-octahydro-1H-isoindole-13-dione

SMILES

COc1cccc(C(COc(cccc2)c2N(C(C2C3CCCC2)=O)C3=O)=O)c1

InChI

InChI=1S/C23H23NO5/c1-28-16-8-6-7-15(13-16)20(25)14-29-21-12-5-4-11-19(21)24-22(26)17-9-2-3-10-18(17)23(24)27/h4-8,11-13,17-18H,2-3,9-10,14H2,1H3

InChI Key

QJUCTAMRRFSLAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.47

Polar Surface Area

56.876

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

5782-4336 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5782-4336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4336?
Check Price and Availability of 5782-4336, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5782-4336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4336
  • 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 5782-4336 available by request