D465-0289 Screening compound: 2-[(1E)-2-(4-fluorophenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

D465-0289 Screening compound: 2-[(1E)-2-(4-fluorophenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile
D465-0289 Screening compound: 2-[(1E)-2-(4-fluorophenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0289
2-[(1E)-2-(4-fluorophenyl)ethenyl]-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

D465-0289

Molecular Formula

C16H15FN4O (C16 H15 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(N2CCNCC2)oc(/C=C/c(cc2)ccc2F)n1

InChI

InChI=1S/C16H15FN4O/c17-13-4-1-12(2-5-13)3-6-15-20-14(11-18)16(22-15)21-9-7-19-8-10-21/h1-6,19H,7-10H2

InChI Key

RETKWIZHHHAKRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11057890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.32

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

2.316

Distribution Coefficient, logD

1.256

Water Solubility, LogSw

-2.59

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

D465-0289 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D465-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0289?
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What is the minimum amount of D465-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0289
  • 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 D465-0289 available by request