4552-3306 Screening compound: 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile

4552-3306 Screening compound: 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
4552-3306 Screening compound: 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-3306
5-(benzylamino)-2-(2-fluorophenyl)-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

4552-3306

Molecular Formula

C17H12FN3O (C17 H12 FN3 O)

Compound Name

5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile

IUPAC name

5-(benzylamino)-2-(2-fluorophenyl)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NCc2ccccc2)oc(-c(cccc2)c2F)n1

InChI

InChI=1S/C17H12FN3O/c18-14-9-5-4-8-13(14)16-21-15(10-19)17(22-16)20-11-12-6-2-1-3-7-12/h1-9,20H,11H2

InChI Key

AGHZEQDXMFREGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03041072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.63

Polar Surface Area

46.278

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4552-3306 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4552-3306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-3306?
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What is the minimum amount of 4552-3306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-3306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-3306
  • 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 4552-3306 available by request