R003-0013 Screening compound: 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one

R003-0013 Screening compound: 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one
R003-0013 Screening compound: 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R003-0013
1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one

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

R003-0013

Molecular Formula

C18H14BrNO (C18 H14 BrNO)

Compound Name

1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one

IUPAC name

1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethan-1-one

SMILES

CC(c1c(C)nc(ccc(Br)c2)c2c1-c1ccccc1)=O

InChI

InChI=1S/C18H14BrNO/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-11/h3-10H,1-2H3

InChI Key

DUXKKQUTSAPGGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.92

Polar Surface Area

22.701

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

R003-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 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
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with R003-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R003-0013?
Check Price and Availability of R003-0013, 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 R003-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R003-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R003-0013
  • 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 R003-0013 available by request