0584-0089 Screening compound: methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

0584-0089 Screening compound: methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
0584-0089 Screening compound: methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0089
methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

0584-0089

Molecular Formula

C24H25NO6 (C24 H25 NO6)

Compound Name

methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

methyl 2-{4-[(heptyloxy)carbonyl]phenyl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCCCCCOC(c(cc1)ccc1N(C(c(cc1)c2cc1C(OC)=O)=O)C2=O)=O

InChI

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

InChI Key

XUTZLPZRDNEEID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.085

Distribution Coefficient, logD

6.085

Water Solubility, LogSw

-5.39

Polar Surface Area

71.101

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0584-0089 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0584-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0089?
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What is the minimum amount of 0584-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0089
  • 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 0584-0089 available by request