6049-3000 Screening compound: 2-(4-butylphenyl)quinoline-4-carboxylic acid

6049-3000 Screening compound: 2-(4-butylphenyl)quinoline-4-carboxylic acid
6049-3000 Screening compound: 2-(4-butylphenyl)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-3000
2-(4-butylphenyl)quinoline-4-carboxylic acid

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

6049-3000

Molecular Formula

C20H19NO2 (C20 H19 NO2)

Compound Name

2-(4-butylphenyl)quinoline-4-carboxylic acid

IUPAC name

2-(4-butylphenyl)quinoline-4-carboxylic acid

SMILES

CCCCc(cc1)ccc1-c1nc2ccccc2c(C(O)=O)c1

InChI

InChI=1S/C20H19NO2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3,(H,22,23)

InChI Key

YQHYGMJUUVXDQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.307

Distribution Coefficient, logD

1.252

Water Solubility, LogSw

-5.37

Polar Surface Area

36.706

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6049-3000 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 6049-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-3000?
Check Price and Availability of 6049-3000, 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 6049-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-3000
  • 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 6049-3000 available by request