8006-8687 Screening compound: [(naphthalen-1-yl)carbamoyl]methyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

8006-8687 Screening compound: [(naphthalen-1-yl)carbamoyl]methyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate
8006-8687 Screening compound: [(naphthalen-1-yl)carbamoyl]methyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8687
[(naphthalen-1-yl)carbamoyl]methyl 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

8006-8687

Molecular Formula

C22H15N3O7 (C22 H15 N3 O7)

Compound Name

[(naphthalen-1-yl)carbamoyl]methyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

IUPAC name

[(naphthalen-1-yl)carbamoyl]methyl 2-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)acetate

SMILES

[O-][N+](c(cccc1C(N2CC(OCC(Nc3cccc4ccccc34)=O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C22H15N3O7/c26-18(23-16-9-3-6-13-5-1-2-7-14(13)16)12-32-19(27)11-24-21(28)15-8-4-10-17(25(30)31)20(15)22(24)29/h1-10H,11-12H2,(H,23,26)

InChI Key

HXCWKYSGRVZGKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.687

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-2.81

Polar Surface Area

105.286

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8006-8687 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8687?
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What is the minimum amount of 8006-8687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8687
  • 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 8006-8687 available by request