S567-0222 Screening compound: 9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

S567-0222 Screening compound: 9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
S567-0222 Screening compound: 9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0222
9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

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

S567-0222

Molecular Formula

C15H28N2O (C15 H28 N2 O)

Compound Name

9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

IUPAC name

9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

SMILES

OC(CN1CCCC1)(CC1)CCC11CCNCC1

InChI

InChI=1S/C15H28N2O/c18-15(13-17-11-1-2-12-17)5-3-14(4-6-15)7-9-16-10-8-14/h16,18H,1-13H2

InChI Key

HUKQLTUESZZBDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29638133

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

252.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.290

Distribution Coefficient, logD

-2.203

Water Solubility, LogSw

0.08

Polar Surface Area

31.983

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

S567-0222 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S567-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0222?
Check Price and Availability of S567-0222, 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 S567-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0222
  • 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 S567-0222 available by request