F944-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzamide

F944-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzamide
F944-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F944-0075
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-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

F944-0075

Molecular Formula

C27H24N4O4 (C27 H24 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(5-acetamido-3-methyl-4-phenyl-1H-pyrazol-1-yl)benzamide

SMILES

CC(Nc(n(-c(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O)nc1C)c1-c1ccccc1)=O

InChI

InChI=1S/C27H24N4O4/c1-17-25(20-6-4-3-5-7-20)26(29-18(2)32)31(30-17)22-11-9-21(10-12-22)27(33)28-15-19-8-13-23-24(14-19)35-16-34-23/h3-14H,15-16H2,1-2H3,(H,28,33)(H,29,32)

InChI Key

MJLWSKCCMHXOPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.70

Polar Surface Area

78.848

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F944-0075 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F944-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F944-0075?
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What is the minimum amount of F944-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F944-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F944-0075
  • 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 F944-0075 available by request