8015-4062 Screening compound: N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

8015-4062 Screening compound: N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
8015-4062 Screening compound: N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4062
N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

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

8015-4062

Molecular Formula

C12H12FN3O (C12 H12 FN3 O)

Compound Name

N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

SMILES

Cn1ncc(C(NCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C12H12FN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)

InChI Key

LUMLVGCVUNDLJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.969

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-1.85

Polar Surface Area

39.461

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8015-4062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8015-4062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4062?
Check Price and Availability of 8015-4062, 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 8015-4062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4062
  • 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 8015-4062 available by request