5782-1718 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate

5782-1718 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate
5782-1718 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-1718
4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate

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

5782-1718

Molecular Formula

C21H27NO4 (C21 H27 NO4)

Compound Name

4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate

IUPAC name

4-(13-dioxo-octahydro-1H-isoindol-2-yl)phenyl heptanoate

SMILES

CCCCCCC(Oc(cc1)ccc1N(C(C1C2CCCC1)=O)C2=O)=O

InChI

InChI=1S/C21H27NO4/c1-2-3-4-5-10-19(23)26-16-13-11-15(12-14-16)22-20(24)17-8-6-7-9-18(17)21(22)25/h11-14,17-18H,2-10H2,1H3

InChI Key

SPWCGBXUJYRIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.18

Polar Surface Area

49.126

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

5782-1718 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5782-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-1718?
Check Price and Availability of 5782-1718, 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 5782-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-1718
  • 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 5782-1718 available by request