5107-0038 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

5107-0038 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
5107-0038 Screening compound: 2-[(1E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5107-0038
2-[(1E)-2-(4-methoxyphenyl)ethenyl]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

5107-0038

Molecular Formula

C19H15NO3 (C19 H15 NO3)

Compound Name

2-[(1E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

IUPAC name

2-[(1E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

SMILES

COc1ccc(/C=C/c2nc3ccccc3c(C(O)=O)c2)cc1

InChI

InChI=1S/C19H15NO3/c1-23-15-10-7-13(8-11-15)6-9-14-12-17(19(21)22)16-4-2-3-5-18(16)20-14/h2-12H,1H3,(H,21,22)

InChI Key

KZNLFMDVONQYPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03299983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

0.539

Water Solubility, LogSw

-4.44

Polar Surface Area

44.745

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5107-0038 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5107-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5107-0038?
Check Price and Availability of 5107-0038, 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 5107-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5107-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5107-0038
  • 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 5107-0038 available by request