3496-0023 Screening compound: 2-(4-bromophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

3496-0023 Screening compound: 2-(4-bromophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
3496-0023 Screening compound: 2-(4-bromophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3496-0023
2-(4-bromophenyl)-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

3496-0023

Molecular Formula

C18H9BrN2O4 (C18 H9 BrN2 O4)

Compound Name

2-(4-bromophenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(4-bromophenyl)-8-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

[O-][N+](c(c1cccc(C(N2c(cc3)ccc3Br)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C18H9BrN2O4/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21(24)25)9-8-14(16(12)13)18(20)23/h1-9H

InChI Key

NRAAYCXZHXRJBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00381564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.18

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

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.69

Polar Surface Area

61.323

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3496-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3496-0023?
Check Price and Availability of 3496-0023, 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 3496-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3496-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3496-0023
  • 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 3496-0023 available by request