3690-0588 Screening compound: {6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol

3690-0588 Screening compound: {6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol
3690-0588 Screening compound: {6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0588
{6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol

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

3690-0588

Molecular Formula

C15H26O2 (C15 H26 O2)

Compound Name

{6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol

IUPAC name

{689-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol

SMILES

CCCC1OCC2(CO)C(C)C=C(C)C1C2C

InChI

InChI=1S/C15H26O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h7,11-14,16H,5-6,8-9H2,1-4H3

InChI Key

BCAUUCDDNVFSTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01025712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-2.99

Polar Surface Area

26.676

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

86.70

3690-0588 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3690-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0588?
Check Price and Availability of 3690-0588, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3690-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0588
  • 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 3690-0588 available by request