0KPI-0068 Screening compound: methyl 2-(adamantan-1-yl)-2-aminoacetate

0KPI-0068 Screening compound: methyl 2-(adamantan-1-yl)-2-aminoacetate
0KPI-0068 Screening compound: methyl 2-(adamantan-1-yl)-2-aminoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0068
methyl 2-(adamantan-1-yl)-2-aminoacetate

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-0068

Molecular Formula

C13H21NO2 (C13 H21 NO2)

Compound Name

methyl 2-(adamantan-1-yl)-2-aminoacetate

IUPAC name

methyl 2-(adamantan-1-yl)-2-aminoacetate

SMILES

COC(C(C1(CC(C2)C3)CC3CC2C1)N)=O

InChI

InChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3/t8?,9?,10?,11-,13?/m1/s1

InChI Key

LHKFCXJRGNQYNN-VBRVDACPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

223.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-1.00

Polar Surface Area

42.414

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.30

0KPI-0068 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 0KPI-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0068?
Check Price and Availability of 0KPI-0068, 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-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0068
  • 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-0068 available by request