C522-0579 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

C522-0579 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
C522-0579 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-0579
N-[2-(4-chlorophenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

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

C522-0579

Molecular Formula

C27H32ClN3O4 (C27 H32 ClN3 O4)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-1-{[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

Cc1c(CN(CC2)CCC2C(NCCc(cc2)ccc2Cl)=O)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C27H32ClN3O4/c1-18-23(30-27(35-18)21-6-9-24(33-2)25(16-21)34-3)17-31-14-11-20(12-15-31)26(32)29-13-10-19-4-7-22(28)8-5-19/h4-9,16,20H,10-15,17H2,1-3H3,(H,29,32)

InChI Key

YDEUSNCCPXYYPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-4.06

Polar Surface Area

61.609

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C522-0579 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C522-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-0579?
Check Price and Availability of C522-0579, 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 C522-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-0579
  • 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 C522-0579 available by request