1682-4329 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

1682-4329 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate
1682-4329 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4329
4-methyl-2-oxo-2H-chromen-7-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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

1682-4329

Molecular Formula

C24H21NO6 (C24 H21 NO6)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl 6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoate

SMILES

CC(c(ccc(OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C24H21NO6/c1-15-13-22(27)31-20-14-16(10-11-17(15)20)30-21(26)9-3-2-6-12-25-23(28)18-7-4-5-8-19(18)24(25)29/h4-5,7-8,10-11,13-14H,2-3,6,9,12H2,1H3

InChI Key

PKHXZCADQSXUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00595910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.80

Polar Surface Area

69.931

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1682-4329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1682-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4329?
Check Price and Availability of 1682-4329, 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 1682-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4329
  • 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 1682-4329 available by request