8006-2711 Screening compound: 4-methyl-2-oxo-2H-chromen-6-yl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

8006-2711 Screening compound: 4-methyl-2-oxo-2H-chromen-6-yl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate
8006-2711 Screening compound: 4-methyl-2-oxo-2H-chromen-6-yl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2711
4-methyl-2-oxo-2H-chromen-6-yl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

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

8006-2711

Molecular Formula

C20H12N2O8 (C20 H12 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc(cc1)OC(CN(C(c2cccc([N+]([O-])=O)c22)=O)C2=O)=O)c1O1)=CC1=O

InChI

InChI=1S/C20H12N2O8/c1-10-7-16(23)30-15-6-5-11(8-13(10)15)29-17(24)9-21-19(25)12-3-2-4-14(22(27)28)18(12)20(21)26/h2-8H,9H2,1H3

InChI Key

HYOAJBBEDIIISN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.235

Distribution Coefficient, logD

1.235

Water Solubility, LogSw

-2.46

Polar Surface Area

103.034

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

-13.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8006-2711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-2711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2711?
Check Price and Availability of 8006-2711, 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 8006-2711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2711
  • 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 8006-2711 available by request