CM3065-2352 Screening compound: [4-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-azaspiro[4.4]non-2-yl](tetrahydro-2H-pyran-4-yl)methanone

CM3065-2352 Screening compound: [4-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-azaspiro[4.4]non-2-yl](tetrahydro-2H-pyran-4-yl)methanone
CM3065-2352 Screening compound: [4-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-azaspiro[4.4]non-2-yl](tetrahydro-2H-pyran-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3065-2352
[4-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-azaspiro[4.4]non-2-yl](tetrahydro-2H-pyran-4-yl)methanone

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

CM3065-2352

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

[4-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-azaspiro[4.4]non-2-yl](tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

4-[5-(2-methylpropyl)-124-oxadiazol-3-yl]-2-(oxane-4-carbonyl)-2-azaspiro[4.4]nonane

SMILES

CC(C)Cc1nc(C(C2)C3(CCCC3)CN2C(C2CCOCC2)=O)no1

InChI

InChI=1S/C20H31N3O3/c1-14(2)11-17-21-18(22-26-17)16-12-23(13-20(16)7-3-4-8-20)19(24)15-5-9-25-10-6-15/h14-16H,3-13H2,1-2H3/t16-/m0/s1

InChI Key

NPLCPJHLTIQMIF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30458382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-2.92

Polar Surface Area

56.850

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.00

CM3065-2352 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)

Spiro Library (21655 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 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 CM3065-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3065-2352?
Check Price and Availability of CM3065-2352, 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 CM3065-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3065-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3065-2352
  • 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 CM3065-2352 available by request