6339-0098 Screening compound: N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide

6339-0098 Screening compound: N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide
6339-0098 Screening compound: N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6339-0098
N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide

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

6339-0098

Molecular Formula

C22H22BrN3O3 (C22 H22 BrN3 O3)

Compound Name

N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide

IUPAC name

N-(6-bromo-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)-3-(morpholin-4-yl)propanamide

SMILES

O=C(CCN1CCOCC1)NC1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C22H22BrN3O3/c23-16-6-7-18-17(14-16)20(15-4-2-1-3-5-15)21(22(28)24-18)25-19(27)8-9-26-10-12-29-13-11-26/h1-7,14H,8-13H2,(H,24,28)(H,25,27)

InChI Key

YTHFFUVZEDOCFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

1.293

Water Solubility, LogSw

-3.65

Polar Surface Area

59.812

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6339-0098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6339-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6339-0098?
Check Price and Availability of 6339-0098, 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 6339-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6339-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6339-0098
  • 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 6339-0098 available by request