F944-1161 Screening compound: 4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-yl)benzamide

F944-1161 Screening compound: 4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-yl)benzamide
F944-1161 Screening compound: 4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F944-1161
4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-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

F944-1161

Molecular Formula

C25H22FN5O2 (C25 H22 FN5 O2)

Compound Name

4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-yl)benzamide

IUPAC name

4-[5-acetamido-4-(4-fluorophenyl)-3-methyl-1H-pyrazol-1-yl]-N-(6-methylpyridin-2-yl)benzamide

SMILES

CC(Nc(n(-c(cc1)ccc1C(Nc1nc(C)ccc1)=O)nc1C)c1-c(cc1)ccc1F)=O

InChI

InChI=1S/C25H22FN5O2/c1-15-5-4-6-22(27-15)29-25(33)19-9-13-21(14-10-19)31-24(28-17(3)32)23(16(2)30-31)18-7-11-20(26)12-8-18/h4-14H,1-3H3,(H,28,32)(H,27,29,33)

InChI Key

WNXQBWNPKAREJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.35

Polar Surface Area

69.399

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F944-1161 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with F944-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F944-1161?
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What is the minimum amount of F944-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F944-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F944-1161
  • 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 F944-1161 available by request