T655-0061 Screening compound: [4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl][3-(trifluoromethoxy)phenyl]methanone

T655-0061 Screening compound: [4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl][3-(trifluoromethoxy)phenyl]methanone
T655-0061 Screening compound: [4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl][3-(trifluoromethoxy)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T655-0061
[4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl][3-(trifluoromethoxy)phenyl]methanone

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

T655-0061

Molecular Formula

C21H24F3N3O4 (C21 H24 F3 N3 O4)

Compound Name

[4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl][3-(trifluoromethoxy)phenyl]methanone

IUPAC name

4-[5-(propan-2-yl)-134-oxadiazol-2-yl]-2-[3-(trifluoromethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane

SMILES

CC(C)c1nnc(C(CN(C2)C(c3cccc(OC(F)(F)F)c3)=O)C22CCOCC2)o1

InChI

InChI=1S/C21H24F3N3O4/c1-13(2)17-25-26-18(30-17)16-11-27(12-20(16)6-8-29-9-7-20)19(28)14-4-3-5-15(10-14)31-21(22,23)24/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m0/s1

InChI Key

PMRYHIYEGIGGAI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29018635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.83

Polar Surface Area

61.401

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

T655-0061 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T655-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T655-0061?
Check Price and Availability of T655-0061, 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 T655-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T655-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T655-0061
  • 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 T655-0061 available by request