6049-2860 Screening compound: 2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid

6049-2860 Screening compound: 2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid
6049-2860 Screening compound: 2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2860
2-[4-(butan-2-yl)phenyl]-3-methylquinoline-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

6049-2860

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid

IUPAC name

2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid

SMILES

CCC(C)c(cc1)ccc1-c1nc2ccccc2c(C(O)=O)c1C

InChI

InChI=1S/C21H21NO2/c1-4-13(2)15-9-11-16(12-10-15)20-14(3)19(21(23)24)17-7-5-6-8-18(17)22-20/h5-13H,4H2,1-3H3,(H,23,24)/t13-/m0/s1

InChI Key

QQZVTZPTOOQWAJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02090820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.816

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-5.62

Polar Surface Area

37.476

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

6049-2860 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6049-2860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2860?
Check Price and Availability of 6049-2860, 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 6049-2860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2860
  • 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 6049-2860 available by request