8012-3104 Screening compound: 1-[(adamantan-1-yl)amino]propan-2-ol

8012-3104 Screening compound: 1-[(adamantan-1-yl)amino]propan-2-ol
8012-3104 Screening compound: 1-[(adamantan-1-yl)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3104
1-[(adamantan-1-yl)amino]propan-2-ol

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

8012-3104

Molecular Formula

C13H23NO (C13 H23 NO)

Compound Name

1-[(adamantan-1-yl)amino]propan-2-ol

IUPAC name

1-[(adamantan-1-yl)amino]propan-2-ol

SMILES

CC(CNC1(CC(C2)C3)CC3CC2C1)O

InChI

InChI=1S/C13H23NO/c1-9(15)8-14-13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12,14-15H,2-8H2,1H3/t9-,10?,11?,12?,13?/m0/s1

InChI Key

BTGYFMZRCNIJRW-TWJXAIAZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

0.202

Water Solubility, LogSw

-1.75

Polar Surface Area

28.240

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

8012-3104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-3104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3104?
Check Price and Availability of 8012-3104, 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 8012-3104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3104
  • 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 8012-3104 available by request