J078-0044 Screening compound: N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

J078-0044 Screening compound: N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide
J078-0044 Screening compound: N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0044
N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

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

J078-0044

Molecular Formula

C22H19BrFN3O4 (C22 H19 BrFN3 O4)

Compound Name

N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-[4-(morpholine-4-carbonyl)-2-oxo-12-dihydroquinolin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1C(C(N1CCOCC1)=O)=C1)C1=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C22H19BrFN3O4/c23-14-5-6-18(17(24)11-14)25-20(28)13-27-19-4-2-1-3-15(19)16(12-21(27)29)22(30)26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,25,28)

InChI Key

GTIGPMPPVDDVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-3.19

Polar Surface Area

62.627

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J078-0044 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J078-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0044?
Check Price and Availability of J078-0044, 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 J078-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0044
  • 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 J078-0044 available by request