8016-4352 Screening compound: 2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide

8016-4352 Screening compound: 2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide
8016-4352 Screening compound: 2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4352
2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide

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

8016-4352

Molecular Formula

C18H24N2O (C18 H24 N2 O)

Compound Name

2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-(adamantan-1-yl)-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(CC1(CC(C2)C3)CC3CC2C1)NCc1cnccc1

InChI

InChI=1S/C18H24N2O/c21-17(20-12-13-2-1-3-19-11-13)10-18-7-14-4-15(8-18)6-16(5-14)9-18/h1-3,11,14-16H,4-10,12H2,(H,20,21)

InChI Key

UQAOPMFTLALTDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-2.97

Polar Surface Area

33.990

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8016-4352 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-4352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4352?
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What is the minimum amount of 8016-4352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4352
  • 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 8016-4352 available by request