8016-5098 Screening compound: 2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

8016-5098 Screening compound: 2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
8016-5098 Screening compound: 2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5098
2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

8016-5098

Molecular Formula

C12H9F3N4O3 (C12 H9 F3 N4 O3)

Compound Name

2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

[O-][N+](c1nn(CC(Nc2c(C(F)(F)F)cccc2)=O)cc1)=O

InChI

InChI=1S/C12H9F3N4O3/c13-12(14,15)8-3-1-2-4-9(8)16-11(20)7-18-6-5-10(17-18)19(21)22/h1-6H,7H2,(H,16,20)

InChI Key

DYIJSLRCJTZZCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.863

Distribution Coefficient, logD

1.863

Water Solubility, LogSw

-2.79

Polar Surface Area

69.924

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8016-5098 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-5098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5098?
Check Price and Availability of 8016-5098, 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 8016-5098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5098
  • 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 8016-5098 available by request