8006-3404 Screening compound: decyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

8006-3404 Screening compound: decyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
8006-3404 Screening compound: decyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3404
decyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

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

8006-3404

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

decyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

decyl 4-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

CCCCCCCCCCOC(c(cc1)ccc1N(C(c1cccc([N+]([O-])=O)c11)=O)C1=O)=O

InChI

InChI=1S/C25H28N2O6/c1-2-3-4-5-6-7-8-9-17-33-25(30)18-13-15-19(16-14-18)26-23(28)20-11-10-12-21(27(31)32)22(20)24(26)29/h10-16H,2-9,17H2,1H3

InChI Key

UXFDPIRSAJOTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.242

Distribution Coefficient, logD

6.242

Water Solubility, LogSw

-5.51

Polar Surface Area

83.008

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-10.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8006-3404 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 8006-3404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3404?
Check Price and Availability of 8006-3404, 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 8006-3404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3404
  • 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 8006-3404 available by request