000L-5779 Screening compound: 3-methyl-4-nitro-N-(quinolin-3-yl)benzamide

000L-5779 Screening compound: 3-methyl-4-nitro-N-(quinolin-3-yl)benzamide
000L-5779 Screening compound: 3-methyl-4-nitro-N-(quinolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-5779
3-methyl-4-nitro-N-(quinolin-3-yl)benzamide

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

000L-5779

Molecular Formula

C17H13N3O3 (C17 H13 N3 O3)

Compound Name

3-methyl-4-nitro-N-(quinolin-3-yl)benzamide

IUPAC name

3-methyl-4-nitro-N-(quinolin-3-yl)benzamide

SMILES

Cc(cc(cc1)C(Nc2cc3ccccc3nc2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C17H13N3O3/c1-11-8-13(6-7-16(11)20(22)23)17(21)19-14-9-12-4-2-3-5-15(12)18-10-14/h2-10H,1H3,(H,19,21)

InChI Key

PEGZMBGTOGLRJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

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

3.733

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-3.94

Polar Surface Area

65.263

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

000L-5779 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 000L-5779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-5779?
Check Price and Availability of 000L-5779, 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 000L-5779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-5779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-5779
  • 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 000L-5779 available by request