0485-0498 Screening compound: N-(4-nitrophenyl)quinoline-2-carboxamide

0485-0498 Screening compound: N-(4-nitrophenyl)quinoline-2-carboxamide
0485-0498 Screening compound: N-(4-nitrophenyl)quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0485-0498
N-(4-nitrophenyl)quinoline-2-carboxamide

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

0485-0498

Molecular Formula

C16H11N3O3 (C16 H11 N3 O3)

Compound Name

N-(4-nitrophenyl)quinoline-2-carboxamide

IUPAC name

N-(4-nitrophenyl)quinoline-2-carboxamide

SMILES

[O-][N+](c(cc1)ccc1NC(c1nc2ccccc2cc1)=O)=O

InChI

InChI=1S/C16H11N3O3/c20-16(17-12-6-8-13(9-7-12)19(21)22)15-10-5-11-3-1-2-4-14(11)18-15/h1-10H,(H,17,20)

InChI Key

KDMFKOCHLDSHAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.83

Polar Surface Area

65.042

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0485-0498 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0485-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0485-0498?
Check Price and Availability of 0485-0498, 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 0485-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0485-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0485-0498
  • 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 0485-0498 available by request