J059-0204 Screening compound: N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

J059-0204 Screening compound: N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide
J059-0204 Screening compound: N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J059-0204
N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]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

J059-0204

Molecular Formula

C27H25FN4O3 (C27 H25 FN4 O3)

Compound Name

N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

IUPAC name

N-[2-(4-{[(4-fluoro-2-methylphenyl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

SMILES

CCC(Nc(ccc(C)c1)c1C1=Nc(cccc2)c2N(CC(Nc(cc2)c(C)cc2F)=O)C1=O)=O

InChI

InChI=1S/C27H25FN4O3/c1-4-24(33)30-21-11-9-16(2)13-19(21)26-27(35)32(23-8-6-5-7-22(23)31-26)15-25(34)29-20-12-10-18(28)14-17(20)3/h5-14H,4,15H2,1-3H3,(H,29,34)(H,30,33)

InChI Key

RUBPZSUGCVHLTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

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

3.362

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.68

Polar Surface Area

68.081

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

J059-0204 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 J059-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J059-0204?
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What is the minimum amount of J059-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J059-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J059-0204
  • 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 J059-0204 available by request