0728-0261 Screening compound: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

0728-0261 Screening compound: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
0728-0261 Screening compound: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0728-0261
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

0728-0261

Molecular Formula

C20H9N3O6 (C20 H9 N3 O6)

Compound Name

2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-8-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

[O-][N+](c(c1cccc(C(N2N(C(c3c4cccc3)=O)C4=O)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C20H9N3O6/c24-17-10-4-1-2-5-11(10)18(25)21(17)22-19(26)13-7-3-6-12-15(23(28)29)9-8-14(16(12)13)20(22)27/h1-9H

InChI Key

RMVZEEWTXZOITL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00767678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.38

Polar Surface Area

96.094

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0728-0261 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0728-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0728-0261?
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What is the minimum amount of 0728-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0728-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0728-0261
  • 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 0728-0261 available by request