8010-2222 Screening compound: 5-nitro-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

8010-2222 Screening compound: 5-nitro-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
8010-2222 Screening compound: 5-nitro-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2222
5-nitro-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-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

8010-2222

Molecular Formula

C18H14N4O4 (C18 H14 N4 O4)

Compound Name

5-nitro-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

7-nitro-3-(135-trimethyl-1H-pyrazol-4-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

Cc(n(C)nc1C)c1N(C(c1c2c3cc([N+]([O-])=O)cc2ccc1)=O)C3=O

InChI

InChI=1S/C18H14N4O4/c1-9-16(10(2)20(3)19-9)21-17(23)13-6-4-5-11-7-12(22(25)26)8-14(15(11)13)18(21)24/h4-8H,1-3H3

InChI Key

PTSVWYROZUUAET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01191065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-2.57

Polar Surface Area

75.861

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8010-2222 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2222?
Check Price and Availability of 8010-2222, 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 8010-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2222
  • 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 8010-2222 available by request