CM4495-5415 Screening compound: 3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol

CM4495-5415 Screening compound: 3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol
CM4495-5415 Screening compound: 3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4495-5415
3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol

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

CM4495-5415

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol

IUPAC name

3-({3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decan-2-yl}methyl)phenol

SMILES

Oc1cccc(CN(C2)C(COc3ccncc3)CC22CCCCC2)c1

InChI

InChI=1S/C22H28N2O2/c25-20-6-4-5-18(13-20)15-24-17-22(9-2-1-3-10-22)14-19(24)16-26-21-7-11-23-12-8-21/h4-8,11-13,19,25H,1-3,9-10,14-17H2/t19-/m1/s1

InChI Key

PCDRLGPIZRKGST-LJQANCHMSA-N

MDL Number (MFCD)

MFCD30467510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-2.34

Polar Surface Area

38.276

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

CM4495-5415 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM4495-5415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4495-5415?
Check Price and Availability of CM4495-5415, 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 CM4495-5415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4495-5415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4495-5415
  • 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 CM4495-5415 available by request