CM2407-1854 Screening compound: 1-[(3aR,7aR)-2-(2,4-dimethylbenzyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methyl-1-butanone

CM2407-1854 Screening compound: 1-[(3aR,7aR)-2-(2,4-dimethylbenzyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methyl-1-butanone
CM2407-1854 Screening compound: 1-[(3aR,7aR)-2-(2,4-dimethylbenzyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2407-1854
1-[(3aR,7aR)-2-(2,4-dimethylbenzyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methyl-1-butanone

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

CM2407-1854

Molecular Formula

C22H34N2O2 (C22 H34 N2 O2)

Compound Name

1-[(3aR,7aR)-2-(2,4-dimethylbenzyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methyl-1-butanone

IUPAC name

1-[(3aR7aR)-2-[(24-dimethylphenyl)methyl]-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-3-methylbutan-1-one

SMILES

CC(C)CC(N1C[C@](CO)(CN(Cc2c(C)cc(C)cc2)C2)[C@H]2CC1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

-0.551

Water Solubility, LogSw

-3.21

Polar Surface Area

37.373

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

11.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.18

CM2407-1854 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM2407-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2407-1854?
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What is the minimum amount of CM2407-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2407-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2407-1854
  • 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 CM2407-1854 available by request