0099-0195 Screening compound: 2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

0099-0195 Screening compound: 2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
0099-0195 Screening compound: 2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0195
2-(2,5-dimethoxyphenyl)-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

0099-0195

Molecular Formula

C20H14N2O6 (C20 H14 N2 O6)

Compound Name

2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(25-dimethoxyphenyl)-8-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

COc(cc1)cc(N(C(c(cccc23)c2c2ccc3[N+]([O-])=O)=O)C2=O)c1OC

InChI

InChI=1S/C20H14N2O6/c1-27-11-6-9-17(28-2)16(10-11)21-19(23)13-5-3-4-12-15(22(25)26)8-7-14(18(12)13)20(21)24/h3-10H,1-2H3

InChI Key

YXEBFUJUJUSTSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-4.16

Polar Surface Area

76.196

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0099-0195 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0099-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0195?
Check Price and Availability of 0099-0195, 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 0099-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0195
  • 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 0099-0195 available by request