0584-0007 Screening compound: 2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

0584-0007 Screening compound: 2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
0584-0007 Screening compound: 2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0007
2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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

0584-0007

Molecular Formula

C24H25NO6 (C24 H25 NO6)

Compound Name

2-{4-[(octyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-{4-[(octyloxy)carbonyl]phenyl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

CCCCCCCCOC(c(cc1)ccc1N(C(c(cc1)c2cc1C(O)=O)=O)C2=O)=O

InChI

InChI=1S/C24H25NO6/c1-2-3-4-5-6-7-14-31-24(30)16-8-11-18(12-9-16)25-21(26)19-13-10-17(23(28)29)15-20(19)22(25)27/h8-13,15H,2-7,14H2,1H3,(H,28,29)

InChI Key

RMSBMXMDRBQJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.433

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-5.50

Polar Surface Area

78.336

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0584-0007 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0584-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0007?
Check Price and Availability of 0584-0007, 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 0584-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0007
  • 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 0584-0007 available by request