J059-0160 Screening compound: N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide

J059-0160 Screening compound: N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide
J059-0160 Screening compound: N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J059-0160
N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]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

J059-0160

Molecular Formula

C25H20ClFN4O3 (C25 H20 ClFN4 O3)

Compound Name

N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide

IUPAC name

N-[2-(4-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)phenyl]propanamide

SMILES

CCC(Nc(cccc1)c1C1=Nc(cccc2)c2N(CC(Nc(cc2)cc(Cl)c2F)=O)C1=O)=O

InChI

InChI=1S/C25H20ClFN4O3/c1-2-22(32)29-19-8-4-3-7-16(19)24-25(34)31(21-10-6-5-9-20(21)30-24)14-23(33)28-15-11-12-18(27)17(26)13-15/h3-13H,2,14H2,1H3,(H,28,33)(H,29,32)

InChI Key

WAQWHKFZWVKISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.17

Polar Surface Area

68.779

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

J059-0160 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 J059-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J059-0160?
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What is the minimum amount of J059-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J059-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J059-0160
  • 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 J059-0160 available by request