CM2407-2047 Screening compound: 1-(2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-3-methylbutan-1-one

CM2407-2047 Screening compound: 1-(2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-3-methylbutan-1-one
CM2407-2047 Screening compound: 1-(2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2407-2047
1-(2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-3-methylbutan-1-one

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

CM2407-2047

Molecular Formula

C21H28ClF3N2O2 (C21 H28 ClF3 N2 O2)

Compound Name

1-(2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)-3-methylbutan-1-one

IUPAC name

1-[(3aR7aR)-2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-3-methylbutan-1-one

SMILES

CC(C)CC(N1C[C@](CO)(CN(Cc(cc(C(F)(F)F)cc2)c2Cl)C2)[C@H]2CC1)=O

InChI

InChI=1S/C21H28ClF3N2O2/c1-14(2)7-19(29)27-6-5-17-10-26(11-20(17,12-27)13-28)9-15-8-16(21(23,24)25)3-4-18(15)22/h3-4,8,14,17,28H,5-7,9-13H2,1-2H3/t17-,20+/m1/s1

InChI Key

DHRCJUYZEIMPNQ-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-4.28

Polar Surface Area

37.373

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

CM2407-2047 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 CM2407-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2407-2047?
Check Price and Availability of CM2407-2047, 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 CM2407-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2407-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2407-2047
  • 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 CM2407-2047 available by request