F612-0181 Screening compound: N-(2,4-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

F612-0181 Screening compound: N-(2,4-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide
F612-0181 Screening compound: N-(2,4-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F612-0181
N-(2,4-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-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

F612-0181

Molecular Formula

C30H28N4O3 (C30 H28 N4 O3)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[1-(4-ethylphenyl)-5-methyl-1H-pyrazol-4-yl]quinoline-4-carboxamide

SMILES

CCc(cc1)ccc1-n1ncc(-c2nc3ccccc3c(C(Nc(ccc(OC)c3)c3OC)=O)c2)c1C

InChI

InChI=1S/C30H28N4O3/c1-5-20-10-12-21(13-11-20)34-19(2)25(18-31-34)28-17-24(23-8-6-7-9-26(23)32-28)30(35)33-27-15-14-22(36-3)16-29(27)37-4/h6-18H,5H2,1-4H3,(H,33,35)

InChI Key

NEGFJTKXDZLWDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.627

Distribution Coefficient, logD

6.626

Water Solubility, LogSw

-5.74

Polar Surface Area

59.930

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F612-0181 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 F612-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F612-0181?
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What is the minimum amount of F612-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F612-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F612-0181
  • 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 F612-0181 available by request