4056-0078 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

4056-0078 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
4056-0078 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 4056-0078
5'-{1,4-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

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

4056-0078

Molecular Formula

C29H42O7 (C29 H42 O7)

Compound Name

5'-{1,4-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

IUPAC name

5'-{14-dioxaspiro[4.5]decan-2-yl}-6'-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydrospiro[cyclohexane-12'-furo[23-d][13]dioxole]

SMILES

CC(C)COc1ccc(COC2C3OC4(CCCCC4)OC3OC2C2OC3(CCCCC3)OC2)cc1

InChI

InChI=1S/C29H42O7/c1-20(2)17-30-22-11-9-21(10-12-22)18-31-25-24(23-19-32-28(34-23)13-5-3-6-14-28)33-27-26(25)35-29(36-27)15-7-4-8-16-29/h9-12,20,23-27H,3-8,13-19H2,1-2H3

InChI Key

QZXRMSYEFFSAJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02931999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-5.54

Polar Surface Area

51.687

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

79.30

References: we are preparing a list of scientific research reports with 4056-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4056-0078?
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What is the minimum amount of 4056-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4056-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4056-0078
  • 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 4056-0078 available by request