1269-0488 Screening compound: 3-amino-5,7-dimethyl-1-adamantanol

1269-0488 Screening compound: 3-amino-5,7-dimethyl-1-adamantanol
1269-0488 Screening compound: 3-amino-5,7-dimethyl-1-adamantanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1269-0488
3-amino-5,7-dimethyl-1-adamantanol

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

1269-0488

Molecular Formula

C12H21NO (C12 H21 NO)

Compound Name

3-amino-5,7-dimethyl-1-adamantanol

IUPAC name

3-amino-57-dimethyladamantan-1-ol

SMILES

CC(CC(C)(C1)C2)(CC1(C1)N)CC12O

InChI

InChI=1S/C12H21NO/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h14H,3-8,13H2,1-2H3

InChI Key

HSRBAOBUCHCHTQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

195.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

-0.410

Water Solubility, LogSw

-1.23

Polar Surface Area

35.139

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

1269-0488 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 1269-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1269-0488?
Check Price and Availability of 1269-0488, 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 1269-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1269-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1269-0488
  • 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 1269-0488 available by request