3165-0006 Screening compound: 4-isobutoxybenzyl [(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl] ether

3165-0006 Screening compound: 4-isobutoxybenzyl [(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl] ether
3165-0006 Screening compound: 4-isobutoxybenzyl [(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 3165-0006
4-isobutoxybenzyl [(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl] ether

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

3165-0006

Molecular Formula

C23H34O7 (C23 H34 O7)

Compound Name

4-isobutoxybenzyl [(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl] ether

IUPAC name

441111-tetramethyl-8-({[4-(2-methylpropoxy)phenyl]methoxy}methyl)-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane

SMILES

CC(C)COc1ccc(COCC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1

InChI

InChI=1S/C23H34O7/c1-14(2)11-25-16-9-7-15(8-10-16)12-24-13-17-18-19(28-22(3,4)27-18)20-21(26-17)30-23(5,6)29-20/h7-10,14,17-21H,11-13H2,1-6H3

InChI Key

VUIPZNXKQCQODT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

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

4.467

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.43

Polar Surface Area

55.988

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

73.90

References: we are preparing a list of scientific research reports with 3165-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3165-0006?
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What is the minimum amount of 3165-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3165-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3165-0006
  • 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 3165-0006 available by request