8011-9164 Screening compound: 4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine

8011-9164 Screening compound: 4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine
8011-9164 Screening compound: 4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9164
4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine

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

8011-9164

Molecular Formula

C17H25NO (C17 H25 NO)

Compound Name

4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine

IUPAC name

4-[3-(adamantan-1-yl)prop-2-yn-1-yl]morpholine

SMILES

C(C#CC1(CC(C2)C3)CC3CC2C1)N1CCOCC1

InChI

InChI=1S/C17H25NO/c1(3-18-4-6-19-7-5-18)2-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16H,3-13H2

InChI Key

FNLGSMGENJHGNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.01

Polar Surface Area

11.891

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.20

8011-9164 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8011-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9164?
Check Price and Availability of 8011-9164, 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 8011-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9164
  • 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 8011-9164 available by request