6456-0584 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide

6456-0584 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide
6456-0584 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0584
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide

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

6456-0584

Molecular Formula

C18H23N3O4 (C18 H23 N3 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(3-oxo-decahydroquinoxalin-2-yl)acetamide

SMILES

O=C(CC1NC(CCCC2)C2NC1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H23N3O4/c22-17(19-11-5-6-15-16(9-11)25-8-7-24-15)10-14-18(23)21-13-4-2-1-3-12(13)20-14/h5-6,9,12-14,20H,1-4,7-8,10H2,(H,19,22)(H,21,23)

InChI Key

YZHAPWLGJMKRMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.822

Distribution Coefficient, logD

0.285

Water Solubility, LogSw

-1.83

Polar Surface Area

77.482

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.60

6456-0584 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6456-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0584?
Check Price and Availability of 6456-0584, 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 6456-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0584
  • 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 6456-0584 available by request