CM2432-2858 Screening compound: 1-{(3aS,7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-1-ethanone

CM2432-2858 Screening compound: 1-{(3aS,7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-1-ethanone
CM2432-2858 Screening compound: 1-{(3aS,7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2432-2858
1-{(3aS,7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-1-ethanone

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

CM2432-2858

Molecular Formula

C18H21F3N2O4 (C18 H21 F3 N2 O4)

Compound Name

1-{(3aS,7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-1-ethanone

IUPAC name

1-[(3aS7aR)-7a-(hydroxymethyl)-2-[2-(trifluoromethoxy)benzoyl]-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]ethan-1-one

SMILES

CC(N1C[C@@H](CN(C2)C(c(cccc3)c3OC(F)(F)F)=O)[C@]2(CO)CC1)=O

InChI

InChI=1S/C18H21F3N2O4/c1-12(25)22-7-6-17(11-24)10-23(9-13(17)8-22)16(26)14-4-2-3-5-15(14)27-18(19,20)21/h2-5,13,24H,6-11H2,1H3/t13-,17-/m1/s1

InChI Key

FCIYQXFUQWFVET-CXAGYDPISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.610

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-2.30

Polar Surface Area

57.308

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

CM2432-2858 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 CM2432-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2432-2858?
Check Price and Availability of CM2432-2858, 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 CM2432-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2432-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2432-2858
  • 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 CM2432-2858 available by request