C522-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

C522-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
C522-0624 Screening compound: N-[2-(3,4-diethoxyphenyl)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 C522-0624
N-[2-(3,4-diethoxyphenyl)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

C522-0624

Molecular Formula

C31H41N3O6 (C31 H41 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(C1CCN(Cc2c(C)oc(-c(cc3)cc(OC)c3OC)n2)CC1)=O)c1)c1OCC

InChI

InChI=1S/C31H41N3O6/c1-6-38-27-10-8-22(18-29(27)39-7-2)12-15-32-30(35)23-13-16-34(17-14-23)20-25-21(3)40-31(33-25)24-9-11-26(36-4)28(19-24)37-5/h8-11,18-19,23H,6-7,12-17,20H2,1-5H3,(H,32,35)

InChI Key

LNSCHUPHLOYIPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-3.12

Polar Surface Area

76.029

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

C522-0624 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C522-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-0624?
Check Price and Availability of C522-0624, 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 C522-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-0624
  • 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 C522-0624 available by request