CM4729-6759 Screening compound: 9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

CM4729-6759 Screening compound: 9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CM4729-6759 Screening compound: 9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4729-6759
9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

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

CM4729-6759

Molecular Formula

C21H24ClFN2O2 (C21 H24 ClFN2 O2)

Compound Name

9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

9-[(4-chloro-3-fluorophenyl)methyl]-4-(pyridin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

OC1(CC2(CCN(Cc(cc3)cc(F)c3Cl)CC2)OCC1)c1ncccc1

InChI

InChI=1S/C21H24ClFN2O2/c22-17-5-4-16(13-18(17)23)14-25-10-6-20(7-11-25)15-21(26,8-12-27-20)19-3-1-2-9-24-19/h1-5,9,13,26H,6-8,10-12,14-15H2/t21-/m0/s1

InChI Key

VWQVYOHTAHDDCJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30459283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.20

Polar Surface Area

34.455

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

CM4729-6759 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4729-6759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4729-6759?
Check Price and Availability of CM4729-6759, 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 CM4729-6759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4729-6759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4729-6759
  • 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 CM4729-6759 available by request