CM4495-7391 Screening compound: 2-(1-ethyl-4-piperidyl)-1-{3-[(4-pyridylmethoxy)methyl]-2-azaspiro[4.5]dec-2-yl}-1-ethanone

CM4495-7391 Screening compound: 2-(1-ethyl-4-piperidyl)-1-{3-[(4-pyridylmethoxy)methyl]-2-azaspiro[4.5]dec-2-yl}-1-ethanone
CM4495-7391 Screening compound: 2-(1-ethyl-4-piperidyl)-1-{3-[(4-pyridylmethoxy)methyl]-2-azaspiro[4.5]dec-2-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4495-7391
2-(1-ethyl-4-piperidyl)-1-{3-[(4-pyridylmethoxy)methyl]-2-azaspiro[4.5]dec-2-yl}-1-ethanone

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

CM4495-7391

Molecular Formula

C25H39N3O2 (C25 H39 N3 O2)

Compound Name

2-(1-ethyl-4-piperidyl)-1-{3-[(4-pyridylmethoxy)methyl]-2-azaspiro[4.5]dec-2-yl}-1-ethanone

IUPAC name

2-(1-ethylpiperidin-4-yl)-1-(3-{[(pyridin-4-yl)methoxy]methyl}-2-azaspiro[4.5]decan-2-yl)ethan-1-one

SMILES

CCN1CCC(CC(N(C2)C(COCc3ccncc3)CC22CCCCC2)=O)CC1

InChI

InChI=1S/C25H39N3O2/c1-2-27-14-8-21(9-15-27)16-24(29)28-20-25(10-4-3-5-11-25)17-23(28)19-30-18-22-6-12-26-13-7-22/h6-7,12-13,21,23H,2-5,8-11,14-20H2,1H3/t23-/m1/s1

InChI Key

NNZXWWWJFCGKFM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD30467526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

0.592

Water Solubility, LogSw

-2.36

Polar Surface Area

37.545

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.00

CM4495-7391 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4495-7391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4495-7391?
Check Price and Availability of CM4495-7391, 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 CM4495-7391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4495-7391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4495-7391
  • 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 CM4495-7391 available by request