CM2345-2839 Screening compound: 2-methoxy-N~1~-({2-[2-(trifluoromethyl)benzyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide

CM2345-2839 Screening compound: 2-methoxy-N~1~-({2-[2-(trifluoromethyl)benzyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide
CM2345-2839 Screening compound: 2-methoxy-N~1~-({2-[2-(trifluoromethyl)benzyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2345-2839
2-methoxy-N~1~-({2-[2-(trifluoromethyl)benzyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide

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

CM2345-2839

Molecular Formula

C21H29F3N2O2 (C21 H29 F3 N2 O2)

Compound Name

2-methoxy-N~1~-({2-[2-(trifluoromethyl)benzyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide

IUPAC name

n/a

SMILES

COCC(NCC(CN(Cc1c(C(F)(F)F)cccc1)C1)C11CCCCC1)=O

InChI

InChI=1S/C21H29F3N2O2/c1-28-14-19(27)25-11-17-13-26(15-20(17)9-5-2-6-10-20)12-16-7-3-4-8-18(16)21(22,23)24/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H,25,27)/t17-/m1/s1

InChI Key

LHWHCAKPDCMLEH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30458539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

1.031

Water Solubility, LogSw

-3.38

Polar Surface Area

37.020

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

CM2345-2839 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)

Beyond the Flatland Library sp3 enriched (92988 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 CM2345-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2345-2839?
Check Price and Availability of CM2345-2839, 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 CM2345-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2345-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2345-2839
  • 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 CM2345-2839 available by request