Y070-5039 Screening compound: 5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile

Y070-5039 Screening compound: 5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile
Y070-5039 Screening compound: 5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5039
5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile

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

Y070-5039

Molecular Formula

C21H21N3O (C21 H21 N3 O)

Compound Name

5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-(4-methylpiperidin-1-yl)-2-[(naphthalen-1-yl)methyl]-13-oxazole-4-carbonitrile

SMILES

CC(CC1)CCN1c1c(C#N)nc(Cc2cccc3ccccc23)o1

InChI

InChI=1S/C21H21N3O/c1-15-9-11-24(12-10-15)21-19(14-22)23-20(25-21)13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15H,9-13H2,1H3

InChI Key

VCBAMHBXHPKNGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04184165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-5.42

Polar Surface Area

39.149

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y070-5039 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y070-5039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5039?
Check Price and Availability of Y070-5039, 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 Y070-5039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5039
  • 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 Y070-5039 available by request