S655-0312 Screening compound: {3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]dec-8-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone

S655-0312 Screening compound: {3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]dec-8-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone
S655-0312 Screening compound: {3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]dec-8-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S655-0312
{3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]dec-8-yl}[1-(4-methoxyphenyl)cyclopropyl]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

S655-0312

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

{3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]dec-8-yl}[1-(4-methoxyphenyl)cyclopropyl]methanone

IUPAC name

3-[5-(methoxymethyl)-134-oxadiazol-2-yl]-8-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2-methyl-28-diazaspiro[4.5]decane

SMILES

CN(CC(C1)(CC2)CCN2C(C2(CC2)c(cc2)ccc2OC)=O)C1c1nnc(COC)o1

InChI

InChI=1S/C24H32N4O4/c1-27-16-23(14-19(27)21-26-25-20(32-21)15-30-2)10-12-28(13-11-23)22(29)24(8-9-24)17-4-6-18(31-3)7-5-17/h4-7,19H,8-16H2,1-3H3/t19-/m1/s1

InChI Key

BHQROGBFYHEPGO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29015897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-1.95

Polar Surface Area

66.894

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S655-0312 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • 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 S655-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S655-0312?
Check Price and Availability of S655-0312, 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 S655-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S655-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S655-0312
  • 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 S655-0312 available by request