C226-0247 Screening compound: 1-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]azepane

C226-0247 Screening compound: 1-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]azepane
C226-0247 Screening compound: 1-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0247
1-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]azepane

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

C226-0247

Molecular Formula

C16H17FN2O2 (C16 H17 FN2 O2)

Compound Name

1-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]azepane

IUPAC name

1-[5-(4-fluorophenyl)-12-oxazole-3-carbonyl]azepane

SMILES

O=C(c1noc(-c(cc2)ccc2F)c1)N1CCCCCC1

InChI

InChI=1S/C16H17FN2O2/c17-13-7-5-12(6-8-13)15-11-14(18-21-15)16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2

InChI Key

MPRSEXIRMVUNOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.74

Polar Surface Area

38.753

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C226-0247 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GPCR Targeted Library (31838 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C226-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0247?
Check Price and Availability of C226-0247, 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 C226-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0247
  • 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 C226-0247 available by request