8016-0196 Screening compound: 5-hydroxy-1-methyl-1-azoniatricyclo[6.2.2.0~2,7~]dodecane

8016-0196 Screening compound: 5-hydroxy-1-methyl-1-azoniatricyclo[6.2.2.0~2,7~]dodecane
8016-0196 Screening compound: 5-hydroxy-1-methyl-1-azoniatricyclo[6.2.2.0~2,7~]dodecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0196
5-hydroxy-1-methyl-1-azoniatricyclo[6.2.2.0~2,7~]dodecane

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

8016-0196

Molecular Formula

C12H22NO (C12 H22 NO)

Compound Name

5-hydroxy-1-methyl-1-azoniatricyclo[6.2.2.0~2,7~]dodecane

IUPAC name

5-hydroxy-1-methyl-1-azatricyclo[6.2.2.0^{27}]dodecan-1-ium

SMILES

C[N+]1(CC2)C(CCC(C3)O)C3C2CC1

InChI

InChI=1S/C12H22NO/c1-13-6-4-9(5-7-13)11-8-10(14)2-3-12(11)13/h9-12,14H,2-8H2,1H3/q+1

InChI Key

IHNCXGJYZVYTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

196.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-0.80

Polar Surface Area

15.751

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

100.00

8016-0196 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 8016-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0196?
Check Price and Availability of 8016-0196, 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 8016-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0196
  • 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 8016-0196 available by request