3374-0580 Screening compound: 10-(naphthalen-2-yl)-7-nitro-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

3374-0580 Screening compound: 10-(naphthalen-2-yl)-7-nitro-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione
3374-0580 Screening compound: 10-(naphthalen-2-yl)-7-nitro-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3374-0580
10-(naphthalen-2-yl)-7-nitro-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-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

3374-0580

Molecular Formula

C21H12N4O4 (C21 H12 N4 O4)

Compound Name

10-(naphthalen-2-yl)-7-nitro-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

IUPAC name

10-(naphthalen-2-yl)-7-nitro-2H3H4H10H-pyrimido[45-b]quinoline-24-dione

SMILES

[O-][N+](c(cc1)cc(C=C2C(N3)=O)c1N(c1cc4ccccc4cc1)C2=NC3=O)=O

InChI

InChI=1S/C21H12N4O4/c26-20-17-11-14-10-16(25(28)29)7-8-18(14)24(19(17)22-21(27)23-20)15-6-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,23,26,27)

InChI Key

YHGSCZGOJGIBEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01630084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.76

Polar Surface Area

80.872

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3374-0580 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3374-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3374-0580?
Check Price and Availability of 3374-0580, 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 3374-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3374-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3374-0580
  • 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 3374-0580 available by request