3740-0533 Screening compound: 1-[6-bromo-2-(morpholin-4-yl)-4-phenylquinolin-3-yl]ethan-1-one

3740-0533 Screening compound: 1-[6-bromo-2-(morpholin-4-yl)-4-phenylquinolin-3-yl]ethan-1-one
3740-0533 Screening compound: 1-[6-bromo-2-(morpholin-4-yl)-4-phenylquinolin-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0533
1-[6-bromo-2-(morpholin-4-yl)-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

3740-0533

Molecular Formula

C21H19BrN2O2 (C21 H19 BrN2 O2)

Compound Name

1-[6-bromo-2-(morpholin-4-yl)-4-phenylquinolin-3-yl]ethan-1-one

IUPAC name

1-[6-bromo-2-(morpholin-4-yl)-4-phenylquinolin-3-yl]ethan-1-one

SMILES

CC(c1c(N2CCOCC2)nc(ccc(Br)c2)c2c1-c1ccccc1)=O

InChI

InChI=1S/C21H19BrN2O2/c1-14(25)19-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)23-21(19)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3

InChI Key

WACAODLQXYRTOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.90

Polar Surface Area

33.418

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3740-0533 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 3740-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0533?
Check Price and Availability of 3740-0533, 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 3740-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0533
  • 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 3740-0533 available by request