1438-0090 Screening compound: 5-ethyladamantane-1,3-diol

1438-0090 Screening compound: 5-ethyladamantane-1,3-diol
1438-0090 Screening compound: 5-ethyladamantane-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1438-0090
5-ethyladamantane-1,3-diol

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

1438-0090

Molecular Formula

C12H20O2 (C12 H20 O2)

Compound Name

5-ethyladamantane-1,3-diol

IUPAC name

5-ethyladamantane-13-diol

SMILES

CCC(CC(C1)C2)(CC1(C1)O)CC12O

InChI

InChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3

InChI Key

UBZYZZAIOTYCAB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.765

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-0.89

Polar Surface Area

30.520

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

1438-0090 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 1438-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1438-0090?
Check Price and Availability of 1438-0090, 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 1438-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1438-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1438-0090
  • 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 1438-0090 available by request