8012-9887 Screening compound: 1,3-benzodioxol-5-yl[4-methyl-6-(2-thienyl)-1,5,2-dioxazinan-2-yl]methanone

8012-9887 Screening compound: 1,3-benzodioxol-5-yl[4-methyl-6-(2-thienyl)-1,5,2-dioxazinan-2-yl]methanone
8012-9887 Screening compound: 1,3-benzodioxol-5-yl[4-methyl-6-(2-thienyl)-1,5,2-dioxazinan-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9887
1,3-benzodioxol-5-yl[4-methyl-6-(2-thienyl)-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

8012-9887

Molecular Formula

C16H15NO5S (C16 H15 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)OC(c2cccs2)ON1C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H15NO5S/c1-10-8-17(22-16(21-10)14-3-2-6-23-14)15(18)11-4-5-12-13(7-11)20-9-19-12/h2-7,10,16H,8-9H2,1H3

InChI Key

JWJIVLFBEIFUEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

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

2.256

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.77

Polar Surface Area

55.747

Acid Dissociation Constant (pKa)

25.28

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with 8012-9887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9887?
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What is the minimum amount of 8012-9887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9887
  • 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 8012-9887 available by request