C066-2633 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C066-2633 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C066-2633 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2633
N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

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

C066-2633

Molecular Formula

C27H34N4O3 (C27 H34 N4 O3)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]propanamide

SMILES

COc(cc1)ccc1-c1noc(CCC(NCCCN2CCC(Cc3ccccc3)CC2)=O)n1

InChI

InChI=1S/C27H34N4O3/c1-33-24-10-8-23(9-11-24)27-29-26(34-30-27)13-12-25(32)28-16-5-17-31-18-14-22(15-19-31)20-21-6-3-2-4-7-21/h2-4,6-11,22H,5,12-20H2,1H3,(H,28,32)

InChI Key

AIGJFBQCWIZVEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-4.22

Polar Surface Area

66.878

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C066-2633 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-2633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2633?
Check Price and Availability of C066-2633, 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 C066-2633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2633
  • 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 C066-2633 available by request