0416-0049 Screening compound: 1-(adamantan-1-yl)propan-2-ol

0416-0049 Screening compound: 1-(adamantan-1-yl)propan-2-ol
0416-0049 Screening compound: 1-(adamantan-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0416-0049
1-(adamantan-1-yl)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

0416-0049

Molecular Formula

C13H22O (C13 H22 O)

Compound Name

1-(adamantan-1-yl)propan-2-ol

IUPAC name

1-(adamantan-1-yl)propan-2-ol

SMILES

CC(CC1(CC(C2)C3)CC3CC2C1)O

InChI

InChI=1S/C13H22O/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12,14H,2-8H2,1H3/t9-,10?,11?,12?,13?/m0/s1

InChI Key

QWTWAILYRPEELS-TWJXAIAZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.32

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.05

Polar Surface Area

16.750

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

0416-0049 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0416-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0416-0049?
Check Price and Availability of 0416-0049, 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 0416-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0416-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0416-0049
  • 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 0416-0049 available by request