CM3034-4474 Screening compound: 4-[(cyclopropylmethoxy)methyl]-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane

CM3034-4474 Screening compound: 4-[(cyclopropylmethoxy)methyl]-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane
CM3034-4474 Screening compound: 4-[(cyclopropylmethoxy)methyl]-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3034-4474
4-[(cyclopropylmethoxy)methyl]-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane

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

CM3034-4474

Molecular Formula

C20H25F2NO3 (C20 H25 F2 NO3)

Compound Name

4-[(cyclopropylmethoxy)methyl]-2-(2,5-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane

IUPAC name

4-[(cyclopropylmethoxy)methyl]-2-(25-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane

SMILES

O=C(c(cc(cc1)F)c1F)N1CC2(CCOCC2)C(COCC2CC2)C1

InChI

InChI=1S/C20H25F2NO3/c21-16-3-4-18(22)17(9-16)19(24)23-10-15(12-26-11-14-1-2-14)20(13-23)5-7-25-8-6-20/h3-4,9,14-15H,1-2,5-8,10-13H2/t15-/m0/s1

InChI Key

JFXZINTZLGYLAF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30467113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.26

Polar Surface Area

33.635

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

CM3034-4474 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with CM3034-4474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3034-4474?
Check Price and Availability of CM3034-4474, 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 CM3034-4474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3034-4474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3034-4474
  • 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 CM3034-4474 available by request