Y206-0981 Screening compound: 3,5-dimethyl-N~1~-(4-pyridylmethyl)-1-adamantanecarboxamide

Y206-0981 Screening compound: 3,5-dimethyl-N~1~-(4-pyridylmethyl)-1-adamantanecarboxamide
Y206-0981 Screening compound: 3,5-dimethyl-N~1~-(4-pyridylmethyl)-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-0981
3,5-dimethyl-N~1~-(4-pyridylmethyl)-1-adamantanecarboxamide

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

Y206-0981

Molecular Formula

C19H26N2O (C19 H26 N2 O)

Compound Name

3,5-dimethyl-N~1~-(4-pyridylmethyl)-1-adamantanecarboxamide

IUPAC name

35-dimethyl-N-[(pyridin-4-yl)methyl]adamantane-1-carboxamide

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12C(NCc1ccncc1)=O

InChI

InChI=1S/C19H26N2O/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)16(22)21-10-14-3-5-20-6-4-14/h3-6,15H,7-13H2,1-2H3,(H,21,22)

InChI Key

PJNZVEVZNJXUJB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.02

Polar Surface Area

34.113

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

Y206-0981 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y206-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-0981?
Check Price and Availability of Y206-0981, 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 Y206-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-0981
  • 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 Y206-0981 available by request