D301-0006 Screening compound: 2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile

D301-0006 Screening compound: 2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
D301-0006 Screening compound: 2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0006
2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-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

D301-0006

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-[5-(phenoxymethyl)furan-2-yl]-5-(piperidin-1-yl)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N2CCCCC2)oc(-c2ccc(COc3ccccc3)o2)n1

InChI

InChI=1S/C20H19N3O3/c21-13-17-20(23-11-5-2-6-12-23)26-19(22-17)18-10-9-16(25-18)14-24-15-7-3-1-4-8-15/h1,3-4,7-10H,2,5-6,11-12,14H2

InChI Key

BCTIUMIDGXSDDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.23

Polar Surface Area

54.824

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D301-0006 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D301-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0006?
Check Price and Availability of D301-0006, 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 D301-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0006
  • 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 D301-0006 available by request