3952-1059 Screening compound: 6-nitro-2-(3-pyridylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3952-1059 Screening compound: 6-nitro-2-(3-pyridylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
3952-1059 Screening compound: 6-nitro-2-(3-pyridylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-1059
6-nitro-2-(3-pyridylmethyl)-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

3952-1059

Molecular Formula

C18H11N3O4 (C18 H11 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(c1cccc(C(N2Cc3cnccc3)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C18H11N3O4/c22-17-13-5-1-4-12-15(21(24)25)7-6-14(16(12)13)18(23)20(17)10-11-3-2-8-19-9-11/h1-9H,10H2

InChI Key

OLWCCEKHQIYEHU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.19

Polar Surface Area

71.452

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3952-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-1059?
Check Price and Availability of 3952-1059, 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 3952-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-1059
  • 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 3952-1059 available by request