0878-7125 Screening compound: 2-methyl-3-nitro-N-(quinolin-3-yl)benzamide

0878-7125 Screening compound: 2-methyl-3-nitro-N-(quinolin-3-yl)benzamide
0878-7125 Screening compound: 2-methyl-3-nitro-N-(quinolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0878-7125
2-methyl-3-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

0878-7125

Molecular Formula

C17H13N3O3 (C17 H13 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(Nc1cc2ccccc2nc1)=O)ccc1)c1[N+]([O-])=O

InChI

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

InChI Key

ARCCBZNTMFXJPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846106

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

3.555

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.73

Polar Surface Area

65.263

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0878-7125 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 0878-7125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0878-7125?
Check Price and Availability of 0878-7125, 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 0878-7125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0878-7125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0878-7125
  • 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 0878-7125 available by request