S971-0516 Screening compound: 1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

S971-0516 Screening compound: 1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one
S971-0516 Screening compound: 1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0516
1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

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

S971-0516

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

IUPAC name

1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

SMILES

OC(CC1)C1(CC1)CCN1C(CCc1cc(N2CCOCC2)ncc1)=O

InChI

InChI=1S/C20H29N3O3/c24-17-3-5-20(17)6-9-23(10-7-20)19(25)2-1-16-4-8-21-18(15-16)22-11-13-26-14-12-22/h4,8,15,17,24H,1-3,5-7,9-14H2/t17-/m0/s1

InChI Key

YEORXUVUIZBJKS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

1.022

Water Solubility, LogSw

-1.81

Polar Surface Area

52.099

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S971-0516 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S971-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0516?
Check Price and Availability of S971-0516, 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 S971-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0516
  • 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 S971-0516 available by request