0459-0001 Screening compound: 3-methyl-N-(2-methyl-5-nitrophenyl)benzamide

0459-0001 Screening compound: 3-methyl-N-(2-methyl-5-nitrophenyl)benzamide
0459-0001 Screening compound: 3-methyl-N-(2-methyl-5-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0459-0001
3-methyl-N-(2-methyl-5-nitrophenyl)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

0459-0001

Molecular Formula

C15H14N2O3 (C15 H14 N2 O3)

Compound Name

3-methyl-N-(2-methyl-5-nitrophenyl)benzamide

IUPAC name

3-methyl-N-(2-methyl-5-nitrophenyl)benzamide

SMILES

Cc1cccc(C(Nc2c(C)ccc([N+]([O-])=O)c2)=O)c1

InChI

InChI=1S/C15H14N2O3/c1-10-4-3-5-12(8-10)15(18)16-14-9-13(17(19)20)7-6-11(14)2/h3-9H,1-2H3,(H,16,18)

InChI Key

DVGZCOXLBSVYBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00610099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.64

Polar Surface Area

56.013

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0459-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0459-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0459-0001?
Check Price and Availability of 0459-0001, 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 0459-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0459-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0459-0001
  • 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 0459-0001 available by request