D465-0001 Screening compound: 2-[(1E)-2-phenylethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

D465-0001 Screening compound: 2-[(1E)-2-phenylethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile
D465-0001 Screening compound: 2-[(1E)-2-phenylethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0001
2-[(1E)-2-phenylethenyl]-5-(piperazin-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

D465-0001

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

2-[(1E)-2-phenylethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-phenylethenyl]-5-(piperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N2CCNCC2)oc(/C=C/c2ccccc2)n1

InChI

InChI=1S/C16H16N4O/c17-12-14-16(20-10-8-18-9-11-20)21-15(19-14)7-6-13-4-2-1-3-5-13/h1-7,18H,8-11H2

InChI Key

KEPICUKMYIGNBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11057887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

1.231

Water Solubility, LogSw

-2.52

Polar Surface Area

51.381

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D465-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D465-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0001?
Check Price and Availability of D465-0001, 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 D465-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0001
  • 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 D465-0001 available by request