0490-5687 Screening compound: 4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide

0490-5687 Screening compound: 4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide
0490-5687 Screening compound: 4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0490-5687
4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide

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

0490-5687

Molecular Formula

C21H17N5O6 (C21 H17 N5 O6)

Compound Name

4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide

IUPAC name

4-methyl-N-[6-(4-methyl-3-nitrobenzamido)pyridin-2-yl]-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc1cccc(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)n1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H17N5O6/c1-12-6-8-14(10-16(12)25(29)30)20(27)23-18-4-3-5-19(22-18)24-21(28)15-9-7-13(2)17(11-15)26(31)32/h3-11H,1-2H3,(H2,22,23,24,27,28)

InChI Key

VVTPZRTZDZOLPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.69

Polar Surface Area

122.332

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

0490-5687 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0490-5687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0490-5687?
Check Price and Availability of 0490-5687, 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 0490-5687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0490-5687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0490-5687
  • 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 0490-5687 available by request