C066-5209 Screening compound: methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate

C066-5209 Screening compound: methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate
C066-5209 Screening compound: methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5209
methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate

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

C066-5209

Molecular Formula

C21H19ClFN3O3 (C21 H19 ClFN3 O3)

Compound Name

methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate

IUPAC name

methyl 3-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-12-oxazole-4-carboxylate

SMILES

COC(c1c(N(CC2)CCN2c(cccc2)c2F)onc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H19ClFN3O3/c1-28-21(27)18-19(14-6-8-15(22)9-7-14)24-29-20(18)26-12-10-25(11-13-26)17-5-3-2-4-16(17)23/h2-9H,10-13H2,1H3

InChI Key

RWZQSXBPTHNKPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-5.07

Polar Surface Area

50.670

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C066-5209 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5209?
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What is the minimum amount of C066-5209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5209
  • 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 C066-5209 available by request