C582-0063 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-1-morpholino-1-ethanone

C582-0063 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-1-morpholino-1-ethanone
C582-0063 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-1-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0063
2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-1-morpholino-1-ethanone

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

C582-0063

Molecular Formula

C16H17FN2O4 (C16 H17 FN2 O4)

Compound Name

2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-1-morpholino-1-ethanone

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(COCc1noc(-c(cc2)ccc2F)c1)N1CCOCC1

InChI

InChI=1S/C16H17FN2O4/c17-13-3-1-12(2-4-13)15-9-14(18-23-15)10-22-11-16(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10-11H2

InChI Key

MTSKGADBZDHEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.386

Distribution Coefficient, logD

1.386

Water Solubility, LogSw

-1.80

Polar Surface Area

54.733

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C582-0063 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C582-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0063?
Check Price and Availability of C582-0063, 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 C582-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0063
  • 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 C582-0063 available by request