J056-0197 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide

J056-0197 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide
J056-0197 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J056-0197
N-(4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide

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

J056-0197

Molecular Formula

C21H20N4O5 (C21 H20 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C)=O)C1=Nc(cccc2)c2N(CC(Nc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C21H20N4O5/c1-3-24(13(2)26)20-21(28)25(16-7-5-4-6-15(16)23-20)11-19(27)22-14-8-9-17-18(10-14)30-12-29-17/h4-10H,3,11-12H2,1-2H3,(H,22,27)

InChI Key

WEWXCAJGVWQLAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.53

Polar Surface Area

79.119

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J056-0197 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J056-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J056-0197?
Check Price and Availability of J056-0197, 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 J056-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J056-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J056-0197
  • 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 J056-0197 available by request