8012-8348 Screening compound: 1,3-benzodioxol-5-yl[6-(4-methoxyphenyl)-4-methyl-1,5,2-dioxazinan-2-yl]methanone

8012-8348 Screening compound: 1,3-benzodioxol-5-yl[6-(4-methoxyphenyl)-4-methyl-1,5,2-dioxazinan-2-yl]methanone
8012-8348 Screening compound: 1,3-benzodioxol-5-yl[6-(4-methoxyphenyl)-4-methyl-1,5,2-dioxazinan-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8348
1,3-benzodioxol-5-yl[6-(4-methoxyphenyl)-4-methyl-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

8012-8348

Molecular Formula

C19H19NO6 (C19 H19 NO6)

Compound Name

1,3-benzodioxol-5-yl[6-(4-methoxyphenyl)-4-methyl-1,5,2-dioxazinan-2-yl]methanone

IUPAC name

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

SMILES

CC(C1)OC(c(cc2)ccc2OC)ON1C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C19H19NO6/c1-12-10-20(18(21)14-5-8-16-17(9-14)24-11-23-16)26-19(25-12)13-3-6-15(22-2)7-4-13/h3-9,12,19H,10-11H2,1-2H3

InChI Key

YWSFGWGNSLHUEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02130443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.09

Polar Surface Area

62.273

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

8012-8348 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8012-8348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8348?
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What is the minimum amount of 8012-8348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8348
  • 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 8012-8348 available by request