CM2345-2339 Screening compound: N-{[2-(2,4,6-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

CM2345-2339 Screening compound: N-{[2-(2,4,6-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide
CM2345-2339 Screening compound: N-{[2-(2,4,6-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2345-2339
N-{[2-(2,4,6-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

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

CM2345-2339

Molecular Formula

C23H34N2O3S (C23 H34 N2 O3 S)

Compound Name

N-{[2-(2,4,6-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

IUPAC name

N-{[2-(246-trimethylbenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

SMILES

Cc(cc1C)cc(C)c1S(N1CC2(CCCCC2)C(CNC(C2CC2)=O)C1)(=O)=O

InChI

InChI=1S/C23H34N2O3S/c1-16-11-17(2)21(18(3)12-16)29(27,28)25-14-20(13-24-22(26)19-7-8-19)23(15-25)9-5-4-6-10-23/h11-12,19-20H,4-10,13-15H2,1-3H3,(H,24,26)/t20-/m1/s1

InChI Key

IHXXSXGQGAQQEF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD30458529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.17

Polar Surface Area

57.039

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.57

CM2345-2339 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with CM2345-2339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2345-2339?
Check Price and Availability of CM2345-2339, 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 CM2345-2339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2345-2339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2345-2339
  • 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 CM2345-2339 available by request