2036-1774 Screening compound: 5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]isophthalic acid

2036-1774 Screening compound: 5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]isophthalic acid
2036-1774 Screening compound: 5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-1774
5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]isophthalic acid

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

2036-1774

Molecular Formula

C20H10N2O8 (C20 H10 N2 O8)

Compound Name

5-[6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]isophthalic acid

IUPAC name

5-{10-nitro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}benzene-13-dicarboxylic acid

SMILES

[O-][N+](c(c1cccc(C(N2c3cc(C(O)=O)cc(C(O)=O)c3)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C20H10N2O8/c23-17-13-3-1-2-12-15(22(29)30)5-4-14(16(12)13)18(24)21(17)11-7-9(19(25)26)6-10(8-11)20(27)28/h1-8H,(H,25,26)(H,27,28)

InChI Key

UYMLFYRLDJCESF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00335223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.31

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

-0.136

Water Solubility, LogSw

-3.59

Polar Surface Area

118.139

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2036-1774 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2036-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-1774?
Check Price and Availability of 2036-1774, 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 2036-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-1774
  • 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 2036-1774 available by request