6228-0069 Screening compound: 3,9-bis(2H-1,3-benzodioxol-5-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

6228-0069 Screening compound: 3,9-bis(2H-1,3-benzodioxol-5-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
6228-0069 Screening compound: 3,9-bis(2H-1,3-benzodioxol-5-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0069
3,9-bis(2H-1,3-benzodioxol-5-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

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

6228-0069

Molecular Formula

C21H20O8 (C21 H20 O8)

Compound Name

3,9-bis(2H-1,3-benzodioxol-5-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

IUPAC name

39-bis(2H-13-benzodioxol-5-yl)-24810-tetraoxaspiro[5.5]undecane

SMILES

C1Oc(cc(C(OC2)OCC22COC(c(cc3)cc4c3OCO4)OC2)cc2)c2O1

InChI

InChI=1S/C21H20O8/c1-3-15-17(28-11-26-15)5-13(1)19-22-7-21(8-23-19)9-24-20(25-10-21)14-2-4-16-18(6-14)29-12-27-16/h1-6,19-20H,7-12H2

InChI Key

LOGORLJVFDSHIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.00

Polar Surface Area

69.022

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6228-0069 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6228-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0069?
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What is the minimum amount of 6228-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0069
  • 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 6228-0069 available by request