5782-1717 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl hexanoate

5782-1717 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl hexanoate
5782-1717 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-1717
4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl hexanoate

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

5782-1717

Molecular Formula

C20H25NO4 (C20 H25 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H25NO4/c1-2-3-4-9-18(22)25-15-12-10-14(11-13-15)21-19(23)16-7-5-6-8-17(16)20(21)24/h10-13,16-17H,2-9H2,1H3

InChI Key

MPOWNDHMCNZLNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.70

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

55.00

5782-1717 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 5782-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-1717?
Check Price and Availability of 5782-1717, 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 5782-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-1717
  • 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 5782-1717 available by request