CM3067-0781 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-8-oxa-2-azaspiro[4.5]decane

CM3067-0781 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-8-oxa-2-azaspiro[4.5]decane
CM3067-0781 Screening compound: 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3067-0781
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-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

CM3067-0781

Molecular Formula

C18H20F3N3O4S (C18 H20 F3 N3 O4 S)

Compound Name

4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[2-(trifluoromethyl)phenyl]sulfonyl}-8-oxa-2-azaspiro[4.5]decane

IUPAC name

n/a

SMILES

Cc1nc(C(CN(C2)S(c3c(C(F)(F)F)cccc3)(=O)=O)C22CCOCC2)no1

InChI

InChI=1S/C18H20F3N3O4S/c1-12-22-16(23-28-12)14-10-24(11-17(14)6-8-27-9-7-17)29(25,26)15-5-3-2-4-13(15)18(19,20)21/h2-5,14H,6-11H2,1H3/t14-/m0/s1

InChI Key

CMXLBAVFBJSIHO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30458394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.42

Polar Surface Area

70.917

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

CM3067-0781 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)

Included in 1.7M Stock Database

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 CM3067-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3067-0781?
Check Price and Availability of CM3067-0781, 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 CM3067-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3067-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3067-0781
  • 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 CM3067-0781 available by request