CM2348-6045 Screening compound: N-{[2-(1-isobutyl-4-piperidyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-1-pyrrolidinecarboxamide

CM2348-6045 Screening compound: N-{[2-(1-isobutyl-4-piperidyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-1-pyrrolidinecarboxamide
CM2348-6045 Screening compound: N-{[2-(1-isobutyl-4-piperidyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2348-6045
N-{[2-(1-isobutyl-4-piperidyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-1-pyrrolidinecarboxamide

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

CM2348-6045

Molecular Formula

C23H42N4O2 (C23 H42 N4 O2)

Compound Name

N-{[2-(1-isobutyl-4-piperidyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-1-pyrrolidinecarboxamide

IUPAC name

N-({2-[1-(2-methylpropyl)piperidin-4-yl]-8-oxa-2-azaspiro[4.5]decan-4-yl}methyl)pyrrolidine-1-carboxamide

SMILES

CC(C)CN(CC1)CCC1N1CC2(CCOCC2)C(CNC(N2CCCC2)=O)C1

InChI

InChI=1S/C23H42N4O2/c1-19(2)16-25-11-5-21(6-12-25)27-17-20(23(18-27)7-13-29-14-8-23)15-24-22(28)26-9-3-4-10-26/h19-21H,3-18H2,1-2H3,(H,24,28)/t20-/m0/s1

InChI Key

AYZMOXPKPAZCSM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30458225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

-1.559

Water Solubility, LogSw

-2.80

Polar Surface Area

42.555

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

11.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

95.65

CM2348-6045 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 CM2348-6045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2348-6045?
Check Price and Availability of CM2348-6045, 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 CM2348-6045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2348-6045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2348-6045
  • 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 CM2348-6045 available by request