4477-1870 Screening compound: 2-(4-fluoro-3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

4477-1870 Screening compound: 2-(4-fluoro-3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
4477-1870 Screening compound: 2-(4-fluoro-3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1870
2-(4-fluoro-3-nitrophenyl)-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

4477-1870

Molecular Formula

C18H9FN2O4 (C18 H9 FN2 O4)

Compound Name

2-(4-fluoro-3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(4-fluoro-3-nitrophenyl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

[O-][N+](c(cc(cc1)N(C(c2c3c4cccc3ccc2)=O)C4=O)c1F)=O

InChI

InChI=1S/C18H9FN2O4/c19-14-8-7-11(9-15(14)21(24)25)20-17(22)12-5-1-3-10-4-2-6-13(16(10)12)18(20)23/h1-9H

InChI Key

LUSYQFIYRCOMDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02732134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.97

Polar Surface Area

61.323

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4477-1870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1870?
Check Price and Availability of 4477-1870, 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 4477-1870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1870
  • 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 4477-1870 available by request