J059-0202 Screening compound: N-[2-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

J059-0202 Screening compound: N-[2-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide
J059-0202 Screening compound: N-[2-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J059-0202
N-[2-(4-{[(2H-1,3-benzodioxol-5-yl)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

J059-0202

Molecular Formula

C27H24N4O5 (C27 H24 N4 O5)

Compound Name

N-[2-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

IUPAC name

N-[2-(4-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)-4-methylphenyl]propanamide

SMILES

CCC(Nc(ccc(C)c1)c1C1=Nc(cccc2)c2N(CC(Nc(cc2)cc3c2OCO3)=O)C1=O)=O

InChI

InChI=1S/C27H24N4O5/c1-3-24(32)29-19-10-8-16(2)12-18(19)26-27(34)31(21-7-5-4-6-20(21)30-26)14-25(33)28-17-9-11-22-23(13-17)36-15-35-22/h4-13H,3,14-15H2,1-2H3,(H,28,33)(H,29,32)

InChI Key

URVNVMPFUDHUIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.50

Polar Surface Area

85.895

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

J059-0202 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J059-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J059-0202?
Check Price and Availability of J059-0202, 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 J059-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J059-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J059-0202
  • 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 J059-0202 available by request