3690-0596 Screening compound: {6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol

3690-0596 Screening compound: {6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol
3690-0596 Screening compound: {6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0596
{6,8,9-trimethyl-4-pentyl-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

3690-0596

Molecular Formula

C17H30O2 (C17 H30 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCC1OCC2(CO)C(C)C=C(C)C1C2C

InChI

InChI=1S/C17H30O2/c1-5-6-7-8-15-16-12(2)9-13(3)17(10-18,11-19-15)14(16)4/h9,13-16,18H,5-8,10-11H2,1-4H3

InChI Key

KWAQTWWTBCDMPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01025714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.29

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

88.20

3690-0596 in Drug Discovery

Included in Screening Libraries

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 3690-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0596?
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What is the minimum amount of 3690-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0596
  • 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 3690-0596 available by request