CM2944-6730 Screening compound: 1-(2,5-dimethoxybenzyl)-3-piperidyl {[5-(3-furyl)-1,2,4-oxadiazol-3-yl]methyl} ether

CM2944-6730 Screening compound: 1-(2,5-dimethoxybenzyl)-3-piperidyl {[5-(3-furyl)-1,2,4-oxadiazol-3-yl]methyl} ether
CM2944-6730 Screening compound: 1-(2,5-dimethoxybenzyl)-3-piperidyl {[5-(3-furyl)-1,2,4-oxadiazol-3-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2944-6730
1-(2,5-dimethoxybenzyl)-3-piperidyl {[5-(3-furyl)-1,2,4-oxadiazol-3-yl]methyl} ether

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

CM2944-6730

Molecular Formula

C21H25N3O5 (C21 H25 N3 O5)

Compound Name

1-(2,5-dimethoxybenzyl)-3-piperidyl {[5-(3-furyl)-1,2,4-oxadiazol-3-yl]methyl} ether

IUPAC name

1-[(25-dimethoxyphenyl)methyl]-3-{[5-(furan-3-yl)-124-oxadiazol-3-yl]methoxy}piperidine

SMILES

COc(cc1)cc(CN(CCC2)CC2OCc2noc(-c3cocc3)n2)c1OC

InChI

InChI=1S/C21H25N3O5/c1-25-17-5-6-19(26-2)16(10-17)11-24-8-3-4-18(12-24)28-14-20-22-21(29-23-20)15-7-9-27-13-15/h5-7,9-10,13,18H,3-4,8,11-12,14H2,1-2H3/t18-/m0/s1

InChI Key

OBGYIPMMNVJWDO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30465598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

0.916

Water Solubility, LogSw

-3.01

Polar Surface Area

66.291

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

CM2944-6730 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM2944-6730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2944-6730?
Check Price and Availability of CM2944-6730, 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 CM2944-6730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2944-6730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2944-6730
  • 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 CM2944-6730 available by request