8005-2272 Screening compound: 2-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

8005-2272 Screening compound: 2-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
8005-2272 Screening compound: 2-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2272
2-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

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

8005-2272

Molecular Formula

C18H24O3 (C18 H24 O3)

Compound Name

2-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

IUPAC name

2-[5-(hydroxymethyl)-689-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

SMILES

CC1C2(CO)C(C)C=C(C)C1C(c(cccc1)c1O)OC2

InChI

InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-6-4-5-7-15(14)20/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3

InChI Key

GJLCIUAVBPZOAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.997

Water Solubility, LogSw

-2.85

Polar Surface Area

42.711

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

55.60

8005-2272 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8005-2272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2272?
Check Price and Availability of 8005-2272, 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 8005-2272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2272
  • 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 8005-2272 available by request