5782-5535 Screening compound: 2-[4-(4-chlorophenoxy)phenyl]-5-methyl-octahydro-1H-isoindole-1,3-dione

5782-5535 Screening compound: 2-[4-(4-chlorophenoxy)phenyl]-5-methyl-octahydro-1H-isoindole-1,3-dione
5782-5535 Screening compound: 2-[4-(4-chlorophenoxy)phenyl]-5-methyl-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-5535
2-[4-(4-chlorophenoxy)phenyl]-5-methyl-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

5782-5535

Molecular Formula

C21H20ClNO3 (C21 H20 ClNO3)

Compound Name

2-[4-(4-chlorophenoxy)phenyl]-5-methyl-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(4-chlorophenoxy)phenyl]-5-methyl-octahydro-1H-isoindole-13-dione

SMILES

CC(CCC1C(N2c(cc3)ccc3Oc(cc3)ccc3Cl)=O)CC1C2=O

InChI

InChI=1S/C21H20ClNO3/c1-13-2-11-18-19(12-13)21(25)23(20(18)24)15-5-9-17(10-6-15)26-16-7-3-14(22)4-8-16/h3-10,13,18-19H,2,11-12H2,1H3

InChI Key

TXGFFHXMIVTPQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03349568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

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

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.94

Polar Surface Area

35.820

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

5782-5535 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 5782-5535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-5535?
Check Price and Availability of 5782-5535, 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 5782-5535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-5535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-5535
  • 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 5782-5535 available by request