1438-0058 Screening compound: 2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate

1438-0058 Screening compound: 2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate
1438-0058 Screening compound: 2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1438-0058
2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate

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

1438-0058

Molecular Formula

C17H29NO2 (C17 H29 NO2)

Compound Name

2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate

IUPAC name

2-(dimethylamino)ethyl 3-ethyladamantane-1-carboxylate

SMILES

CCC(CC(C1)C2)(CC1C1)CC12C(OCCN(C)C)=O

InChI

InChI=1S/C17H29NO2/c1-4-16-8-13-7-14(9-16)11-17(10-13,12-16)15(19)20-6-5-18(2)3/h13-14H,4-12H2,1-3H3

InChI Key

DQKPQHOBMBCXJN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

279.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.85

Polar Surface Area

25.185

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.12

1438-0058 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1438-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1438-0058?
Check Price and Availability of 1438-0058, 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 1438-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1438-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1438-0058
  • 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 1438-0058 available by request