S646-0131 Screening compound: 1H-imidazol-4-yl [4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino] sulfone

S646-0131 Screening compound: 1H-imidazol-4-yl [4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino] sulfone
S646-0131 Screening compound: 1H-imidazol-4-yl [4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S646-0131
1H-imidazol-4-yl [4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino] sulfone

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

S646-0131

Molecular Formula

C22H30N4O2S (C22 H30 N4 O2 S)

Compound Name

1H-imidazol-4-yl [4-(1-phenyl-2-azaspiro[3.5]non-2-yl)piperidino] sulfone

IUPAC name

2-[1-(1H-imidazole-4-sulfonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonane

SMILES

O=S(c1c[nH]cn1)(N(CC1)CCC1N(CC12CCCCC2)C1c1ccccc1)=O

InChI

InChI=1S/C22H30N4O2S/c27-29(28,20-15-23-17-24-20)25-13-9-19(10-14-25)26-16-22(11-5-2-6-12-22)21(26)18-7-3-1-4-8-18/h1,3-4,7-8,15,17,19,21H,2,5-6,9-14,16H2,(H,23,24)/t21-/m1/s1

InChI Key

DTZBZXKXBOWDGR-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-3.84

Polar Surface Area

55.547

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

9.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S646-0131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Antiviral
  • Infections
  • Immune 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 S646-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S646-0131?
Check Price and Availability of S646-0131, 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 S646-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S646-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S646-0131
  • 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 S646-0131 available by request