CM3034-3629 Screening compound: 4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decane

CM3034-3629 Screening compound: 4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decane
CM3034-3629 Screening compound: 4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3034-3629
4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-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

CM3034-3629

Molecular Formula

C22H23F3N2O3 (C22 H23 F3 N2 O3)

Compound Name

4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decane

IUPAC name

4-[(pyridin-4-yloxy)methyl]-2-[4-(trifluoromethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decane

SMILES

O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CCOCC2)C(COc2ccncc2)C1

InChI

InChI=1S/C22H23F3N2O3/c23-22(24,25)17-3-1-16(2-4-17)20(28)27-13-18(14-30-19-5-9-26-10-6-19)21(15-27)7-11-29-12-8-21/h1-6,9-10,18H,7-8,11-15H2/t18-/m0/s1

InChI Key

URGZWYAOXDFSFR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30458352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-2.82

Polar Surface Area

41.604

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

CM3034-3629 in Drug Discovery

Included in Screening Libraries

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

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 CM3034-3629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3034-3629?
Check Price and Availability of CM3034-3629, 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 CM3034-3629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3034-3629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3034-3629
  • 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 CM3034-3629 available by request