8004-3441 Screening compound: 2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

8004-3441 Screening compound: 2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
8004-3441 Screening compound: 2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3441
2-(3-methoxypropyl)-5,8-dinitro-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

8004-3441

Molecular Formula

C16H13N3O7 (C16 H13 N3 O7)

Compound Name

2-(3-methoxypropyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(3-methoxypropyl)-711-dinitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

COCCCN(C(c1c2c3cc([N+]([O-])=O)cc2cc([N+]([O-])=O)c1)=O)C3=O

InChI

InChI=1S/C16H13N3O7/c1-26-4-2-3-17-15(20)12-7-10(18(22)23)5-9-6-11(19(24)25)8-13(14(9)12)16(17)21/h5-8H,2-4H2,1H3

InChI Key

RGWXTYXTEUPRDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-2.80

Polar Surface Area

104.209

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8004-3441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3441?
Check Price and Availability of 8004-3441, 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 8004-3441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3441
  • 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 8004-3441 available by request