0KPI-0047 Screening compound: 4-(adamantane-1-carbonyl)morpholine

0KPI-0047 Screening compound: 4-(adamantane-1-carbonyl)morpholine
0KPI-0047 Screening compound: 4-(adamantane-1-carbonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0047
4-(adamantane-1-carbonyl)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

0KPI-0047

Molecular Formula

C15H23NO2 (C15 H23 NO2)

Compound Name

4-(adamantane-1-carbonyl)morpholine

IUPAC name

4-(adamantane-1-carbonyl)morpholine

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)N1CCOCC1

InChI

InChI=1S/C15H23NO2/c17-14(16-1-3-18-4-2-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2

InChI Key

CHKCQWNXMJAHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-2.90

Polar Surface Area

24.829

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

93.33

0KPI-0047 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0KPI-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0047?
Check Price and Availability of 0KPI-0047, 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 0KPI-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0047
  • 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 0KPI-0047 available by request