F944-0454 Screening compound: N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

F944-0454 Screening compound: N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide
F944-0454 Screening compound: N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F944-0454
N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}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

F944-0454

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

IUPAC name

N-{1-[4-(azepane-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

SMILES

CC(Nc(n(-c(cc1)ccc1C(N1CCCCCC1)=O)nc1C)c1-c1ccc(C)cc1)=O

InChI

InChI=1S/C26H30N4O2/c1-18-8-10-21(11-9-18)24-19(2)28-30(25(24)27-20(3)31)23-14-12-22(13-15-23)26(32)29-16-6-4-5-7-17-29/h8-15H,4-7,16-17H2,1-3H3,(H,27,31)

InChI Key

QKZFIGYNCCJEGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.16

Polar Surface Area

54.298

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with F944-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F944-0454?
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What is the minimum amount of F944-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F944-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F944-0454
  • 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 F944-0454 available by request