CM2408-3333 Screening compound: 4-{[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole

CM2408-3333 Screening compound: 4-{[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole
CM2408-3333 Screening compound: 4-{[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2408-3333
4-{[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole

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

CM2408-3333

Molecular Formula

C20H27FN4O3S (C20 H27 FN4 O3 S)

Compound Name

4-{[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole

IUPAC name

4-{[(3aR7aR)-3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]methyl}-3-(3-methoxyphenyl)-1H-pyrazole

SMILES

COc1cccc(-c2n[nH]cc2CN(C2)C[C@@](CF)(C3)[C@H]2CCN3S(C)(=O)=O)c1

InChI

InChI=1S/C20H27FN4O3S/c1-28-18-5-3-4-15(8-18)19-16(9-22-23-19)10-24-11-17-6-7-25(29(2,26)27)14-20(17,12-21)13-24/h3-5,8-9,17H,6-7,10-14H2,1-2H3,(H,22,23)/t17-,20+/m1/s1

InChI Key

DCVQHWHXRCKPHX-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.819

Distribution Coefficient, logD

-2.336

Water Solubility, LogSw

-2.57

Polar Surface Area

67.074

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

11.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

CM2408-3333 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 CM2408-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2408-3333?
Check Price and Availability of CM2408-3333, 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 CM2408-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2408-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2408-3333
  • 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 CM2408-3333 available by request