0914-0042 Screening compound: ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate

0914-0042 Screening compound: ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
0914-0042 Screening compound: ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0914-0042
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate

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

0914-0042

Molecular Formula

C19H16ClNO2 (C19 H16 ClNO2)

Compound Name

ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate

IUPAC name

ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate

SMILES

CCOC(c1c(C)nc(ccc(Cl)c2)c2c1-c1ccccc1)=O

InChI

InChI=1S/C19H16ClNO2/c1-3-23-19(22)17-12(2)21-16-10-9-14(20)11-15(16)18(17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3

InChI Key

BHCZANKDQKMIBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00104359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.90

Polar Surface Area

29.628

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

0914-0042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0914-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0914-0042?
Check Price and Availability of 0914-0042, 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 0914-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0914-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0914-0042
  • 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 0914-0042 available by request