S567-0167 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-3-azaspiro[5.5]undecan-9-ol

S567-0167 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-3-azaspiro[5.5]undecan-9-ol
S567-0167 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0167
9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-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

S567-0167

Molecular Formula

C21H32N2O3 (C21 H32 N2 O3)

Compound Name

9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-3-azaspiro[5.5]undecan-9-ol

IUPAC name

9-[(dimethylamino)methyl]-3-(4-methoxybenzoyl)-3-azaspiro[5.5]undecan-9-ol

SMILES

CN(C)CC(CC1)(CCC1(CC1)CCN1C(c(cc1)ccc1OC)=O)O

InChI

InChI=1S/C21H32N2O3/c1-22(2)16-21(25)10-8-20(9-11-21)12-14-23(15-13-20)19(24)17-4-6-18(26-3)7-5-17/h4-7,25H,8-16H2,1-3H3

InChI Key

CDYOLYUNAGACOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

0.191

Water Solubility, LogSw

-1.89

Polar Surface Area

43.811

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S567-0167 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S567-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0167?
Check Price and Availability of S567-0167, 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 S567-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0167
  • 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 S567-0167 available by request