CM2408-3887 Screening compound: N-(4-{2-[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide

CM2408-3887 Screening compound: N-(4-{2-[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide
CM2408-3887 Screening compound: N-(4-{2-[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2408-3887
N-(4-{2-[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)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

CM2408-3887

Molecular Formula

C19H26FN3O4S (C19 H26 FN3 O4 S)

Compound Name

N-(4-{2-[3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide

IUPAC name

N-(4-{2-[(3aR7aR)-3a-(fluoromethyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide

SMILES

CC(Nc1ccc(CC(N(C2)C[C@@](CF)(C3)[C@H]2CCN3S(C)(=O)=O)=O)cc1)=O

InChI

InChI=1S/C19H26FN3O4S/c1-14(24)21-17-5-3-15(4-6-17)9-18(25)22-10-16-7-8-23(28(2,26)27)13-19(16,11-20)12-22/h3-6,16H,7-13H2,1-2H3,(H,21,24)/t16-,19+/m1/s1

InChI Key

MNBQTZPASZOGQL-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.498

Distribution Coefficient, logD

0.498

Water Solubility, LogSw

-2.25

Polar Surface Area

70.991

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

CM2408-3887 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 CM2408-3887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2408-3887?
Check Price and Availability of CM2408-3887, 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 CM2408-3887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2408-3887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2408-3887
  • 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 CM2408-3887 available by request