S655-0831 Screening compound: 2-[2-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanol

S655-0831 Screening compound: 2-[2-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanol
S655-0831 Screening compound: 2-[2-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S655-0831
2-[2-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanol

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

S655-0831

Molecular Formula

C17H30N4O2 (C17 H30 N4 O2)

Compound Name

2-[2-isobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanol

IUPAC name

2-[3-(5-methyl-134-oxadiazol-2-yl)-2-(2-methylpropyl)-28-diazaspiro[4.5]decan-8-yl]ethan-1-ol

SMILES

CC(C)CN(CC1(C2)CCN(CCO)CC1)C2c1nnc(C)o1

InChI

InChI=1S/C17H30N4O2/c1-13(2)11-21-12-17(4-6-20(7-5-17)8-9-22)10-15(21)16-19-18-14(3)23-16/h13,15,22H,4-12H2,1-3H3/t15-/m0/s1

InChI Key

ZMFLMFZLPDRFDI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30467616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

-0.256

Water Solubility, LogSw

-1.09

Polar Surface Area

54.512

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.24

S655-0831 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S655-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S655-0831?
Check Price and Availability of S655-0831, 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 S655-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S655-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S655-0831
  • 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 S655-0831 available by request