8011-2759 Screening compound: 1,3-benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone

8011-2759 Screening compound: 1,3-benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone
8011-2759 Screening compound: 1,3-benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2759
1,3-benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone

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

8011-2759

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

1,3-benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone

IUPAC name

2-(2H-13-benzodioxole-5-carbonyl)-4-methyl-6-phenyl-152-dioxazinane

SMILES

CC(C1)OC(c2ccccc2)ON1C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H17NO5/c1-12-10-19(24-18(23-12)13-5-3-2-4-6-13)17(20)14-7-8-15-16(9-14)22-11-21-15/h2-9,12,18H,10-11H2,1H3

InChI Key

TWRYOUCDCAUXJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.20

Polar Surface Area

54.729

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

8011-2759 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-2759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2759?
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What is the minimum amount of 8011-2759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2759
  • 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 8011-2759 available by request