0109-0227 Screening compound: 4-nitro-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one

0109-0227 Screening compound: 4-nitro-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
0109-0227 Screening compound: 4-nitro-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0227
4-nitro-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one

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

0109-0227

Molecular Formula

C18H9N3O3 (C18 H9 N3 O3)

Compound Name

4-nitro-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one

IUPAC name

15-nitro-310-diazapentacyclo[10.7.1.0^{210}.0^{49}.0^{1620}]icosa-1(19)24(9)57121416(20)17-nonaen-11-one

SMILES

[O-][N+](c(c1cccc(-c2nc(cccc3)c3n22)c11)ccc1C2=O)=O

InChI

InChI=1S/C18H9N3O3/c22-18-12-8-9-14(21(23)24)10-4-3-5-11(16(10)12)17-19-13-6-1-2-7-15(13)20(17)18/h1-9H

InChI Key

JLAHLIKOBNNHKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00389535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.57

Polar Surface Area

57.019

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0109-0227 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0109-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0227?
Check Price and Availability of 0109-0227, 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 0109-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0227
  • 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 0109-0227 available by request