CM4495-5106 Screening compound: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane

CM4495-5106 Screening compound: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane
CM4495-5106 Screening compound: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4495-5106
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane

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

CM4495-5106

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)methyl]-3-[(pyridin-4-yloxy)methyl]-2-azaspiro[4.5]decane

SMILES

Cc1noc(C)c1CN(C1)C(COc2ccncc2)CC11CCCCC1

InChI

InChI=1S/C21H29N3O2/c1-16-20(17(2)26-23-16)13-24-15-21(8-4-3-5-9-21)12-18(24)14-25-19-6-10-22-11-7-19/h6-7,10-11,18H,3-5,8-9,12-15H2,1-2H3/t18-/m1/s1

InChI Key

GJPVSCBIRIZJFJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30467505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

0.723

Water Solubility, LogSw

-2.39

Polar Surface Area

42.697

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

CM4495-5106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4495-5106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4495-5106?
Check Price and Availability of CM4495-5106, 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 CM4495-5106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4495-5106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4495-5106
  • 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 CM4495-5106 available by request