J056-0441 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-benzylacetamide

J056-0441 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-benzylacetamide
J056-0441 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J056-0441
N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-benzylacetamide

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

J056-0441

Molecular Formula

C26H22N4O5 (C26 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc1ccccc1)C1=Nc(cccc2)c2N(CC(Nc(cc2)cc3c2OCO3)=O)C1=O)=O

InChI

InChI=1S/C26H22N4O5/c1-17(31)29(14-18-7-3-2-4-8-18)25-26(33)30(21-10-6-5-9-20(21)28-25)15-24(32)27-19-11-12-22-23(13-19)35-16-34-22/h2-13H,14-16H2,1H3,(H,27,32)

InChI Key

BBJVRJXYEXBPDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.32

Polar Surface Area

79.123

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

J056-0441 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with J056-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J056-0441?
Check Price and Availability of J056-0441, 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 J056-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J056-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J056-0441
  • 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 J056-0441 available by request