0526-5776 Screening compound: 3-methyl-4-nitro-N-(pyridin-4-yl)benzamide

0526-5776 Screening compound: 3-methyl-4-nitro-N-(pyridin-4-yl)benzamide
0526-5776 Screening compound: 3-methyl-4-nitro-N-(pyridin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0526-5776
3-methyl-4-nitro-N-(pyridin-4-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

0526-5776

Molecular Formula

C13H11N3O3 (C13 H11 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(Nc2ccncc2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C13H11N3O3/c1-9-8-10(2-3-12(9)16(18)19)13(17)15-11-4-6-14-7-5-11/h2-8H,1H3,(H,14,15,17)

InChI Key

BVWDXUFLXGPQEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.25

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

2.260

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.72

Polar Surface Area

65.838

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0526-5776 in Drug Discovery

Included in Screening Libraries

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 0526-5776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0526-5776?
Check Price and Availability of 0526-5776, 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 0526-5776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0526-5776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0526-5776
  • 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 0526-5776 available by request