CM4527-2543 Screening compound: 2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-2,7-diazaspiro[3.5]nonane

CM4527-2543 Screening compound: 2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-2,7-diazaspiro[3.5]nonane
CM4527-2543 Screening compound: 2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-2,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4527-2543
2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-2,7-diazaspiro[3.5]nonane

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

CM4527-2543

Molecular Formula

C23H26F3N3O3 (C23 H26 F3 N3 O3)

Compound Name

2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-2,7-diazaspiro[3.5]nonane

IUPAC name

2-(2-methoxyethyl)-1-(pyridin-4-yl)-7-[4-(trifluoromethoxy)benzoyl]-27-diazaspiro[3.5]nonane

SMILES

COCCN(CC1(CC2)CCN2C(c(cc2)ccc2OC(F)(F)F)=O)C1c1ccncc1

InChI

InChI=1S/C23H26F3N3O3/c1-31-15-14-29-16-22(20(29)17-6-10-27-11-7-17)8-12-28(13-9-22)21(30)18-2-4-19(5-3-18)32-23(24,25)26/h2-7,10-11,20H,8-9,12-16H2,1H3/t20-/m1/s1

InChI Key

RXRYWNJOCKEXFM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD30459034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-3.06

Polar Surface Area

43.981

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

CM4527-2543 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM4527-2543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4527-2543?
Check Price and Availability of CM4527-2543, 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 CM4527-2543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4527-2543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4527-2543
  • 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 CM4527-2543 available by request