3693-0041 Screening compound: N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide

3693-0041 Screening compound: N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide
3693-0041 Screening compound: N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3693-0041
N-(3,5-dimethyl-1H-pyrazol-4-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

3693-0041

Molecular Formula

C12H12N4O3 (C12 H12 N4 O3)

Compound Name

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide

IUPAC name

N-(35-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide

SMILES

Cc([nH]nc1C)c1NC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C12H12N4O3/c1-7-11(8(2)15-14-7)13-12(17)9-4-3-5-10(6-9)16(18)19/h3-6H,1-2H3,(H,13,17)(H,14,15)

InChI Key

AXAGAJMFFWLJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-2.31

Polar Surface Area

79.231

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3693-0041 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3693-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3693-0041?
Check Price and Availability of 3693-0041, 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 3693-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3693-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3693-0041
  • 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 3693-0041 available by request