C205-0456 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

C205-0456 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
C205-0456 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C205-0456
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-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

C205-0456

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-(2-ethyl-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CCC1Oc(ccc(C)c2)c2N(CC(NCC2Oc(cccc3)c3OC2)=O)C1=O

InChI

InChI=1S/C22H24N2O5/c1-3-17-22(26)24(16-10-14(2)8-9-18(16)29-17)12-21(25)23-11-15-13-27-19-6-4-5-7-20(19)28-15/h4-10,15,17H,3,11-13H2,1-2H3,(H,23,25)

InChI Key

VJSOEYQWFMCAJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.29

Polar Surface Area

63.417

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

C205-0456 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C205-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C205-0456?
Check Price and Availability of C205-0456, 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 C205-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C205-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C205-0456
  • 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 C205-0456 available by request