6228-0038 Screening compound: 4-[2-(benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

6228-0038 Screening compound: 4-[2-(benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
6228-0038 Screening compound: 4-[2-(benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0038
4-[2-(benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

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

6228-0038

Molecular Formula

C24H28O2 (C24 H28 O2)

Compound Name

4-[2-(benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

IUPAC name

4-[2-(benzyloxy)phenyl]-689-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

SMILES

CC1C2C(C)=CC(C)C1COC2c(cccc1)c1OCc1ccccc1

InChI

InChI=1S/C24H28O2/c1-16-13-17(2)23-18(3)21(16)15-26-24(23)20-11-7-8-12-22(20)25-14-19-9-5-4-6-10-19/h4-13,16,18,21,23-24H,14-15H2,1-3H3

InChI Key

DUWXMXJIRAGQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.74

Polar Surface Area

16.362

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

41.70

6228-0038 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 6228-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0038?
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What is the minimum amount of 6228-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0038
  • 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 6228-0038 available by request