0418-0114 Screening compound: 2-(adamantan-1-yl)-2-aminoacetic acid

0418-0114 Screening compound: 2-(adamantan-1-yl)-2-aminoacetic acid
0418-0114 Screening compound: 2-(adamantan-1-yl)-2-aminoacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0418-0114
2-(adamantan-1-yl)-2-aminoacetic acid

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

0418-0114

Molecular Formula

C12H19NO2 (C12 H19 NO2)

Compound Name

2-(adamantan-1-yl)-2-aminoacetic acid

IUPAC name

2-(adamantan-1-yl)-2-aminoacetic acid

SMILES

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

InChI

InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7?,8?,9?,10-,12?/m1/s1

InChI Key

NJRFVURYVWPLKB-PZLWRYNDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.052

Distribution Coefficient, logD

-2.916

Water Solubility, LogSw

-0.40

Polar Surface Area

49.648

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.70

0418-0114 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0418-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0418-0114?
Check Price and Availability of 0418-0114, 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 0418-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0418-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0418-0114
  • 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 0418-0114 available by request