Y070-5037 Screening compound: 2-[(naphthalen-1-yl)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

Y070-5037 Screening compound: 2-[(naphthalen-1-yl)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Y070-5037 Screening compound: 2-[(naphthalen-1-yl)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5037
2-[(naphthalen-1-yl)methyl]-5-(4-phenylpiperazin-1-yl)-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

Y070-5037

Molecular Formula

C25H22N4O (C25 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(N(CC2)CCN2c2ccccc2)oc(Cc2cccc3ccccc23)n1

InChI

InChI=1S/C25H22N4O/c26-18-23-25(29-15-13-28(14-16-29)21-10-2-1-3-11-21)30-24(27-23)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-17H2

InChI Key

DOHQDFJPAODGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-6.51

Polar Surface Area

42.409

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y070-5037 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y070-5037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5037?
Check Price and Availability of Y070-5037, 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 Y070-5037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5037
  • 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 Y070-5037 available by request