F944-0027 Screening compound: N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide

F944-0027 Screening compound: N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide
F944-0027 Screening compound: N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F944-0027
N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide

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

F944-0027

Molecular Formula

C27H26N4O2 (C27 H26 N4 O2)

Compound Name

N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide

IUPAC name

N-benzyl-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)-N-methylbenzamide

SMILES

CC(Nc(n(-c(cc1)ccc1C(N(C)Cc1ccccc1)=O)nc1C)c1-c1ccccc1)=O

InChI

InChI=1S/C27H26N4O2/c1-19-25(22-12-8-5-9-13-22)26(28-20(2)32)31(29-19)24-16-14-23(15-17-24)27(33)30(3)18-21-10-6-4-7-11-21/h4-17H,18H2,1-3H3,(H,28,32)

InChI Key

ZFWOZOZYEZPFIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.98

Polar Surface Area

53.469

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F944-0027 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F944-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F944-0027?
Check Price and Availability of F944-0027, 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 F944-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F944-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F944-0027
  • 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 F944-0027 available by request