F612-0458 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

F612-0458 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide
F612-0458 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F612-0458
N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-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

F612-0458

Molecular Formula

C29H25FN4O2 (C29 H25 FN4 O2)

Compound Name

N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

SMILES

CCOc1c(CNC(c2cc(-c3c(C)n(-c(cc4)ccc4F)nc3)nc3ccccc23)=O)cccc1

InChI

InChI=1S/C29H25FN4O2/c1-3-36-28-11-7-4-8-20(28)17-31-29(35)24-16-27(33-26-10-6-5-9-23(24)26)25-18-32-34(19(25)2)22-14-12-21(30)13-15-22/h4-16,18H,3,17H2,1-2H3,(H,31,35)

InChI Key

ZNNSVXQMWOLIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

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

6.355

Distribution Coefficient, logD

6.355

Water Solubility, LogSw

-5.63

Polar Surface Area

53.986

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

F612-0458 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F612-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F612-0458?
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What is the minimum amount of F612-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F612-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F612-0458
  • 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 F612-0458 available by request