S631-0842 Screening compound: N~1~,N~1~-dimethyl-4-[1-oxo-3-(4-pyridyl)-2-azaspiro[3.5]non-2-yl]tetrahydro-1(2H)-pyridinesulfonamide

S631-0842 Screening compound: N~1~,N~1~-dimethyl-4-[1-oxo-3-(4-pyridyl)-2-azaspiro[3.5]non-2-yl]tetrahydro-1(2H)-pyridinesulfonamide
S631-0842 Screening compound: N~1~,N~1~-dimethyl-4-[1-oxo-3-(4-pyridyl)-2-azaspiro[3.5]non-2-yl]tetrahydro-1(2H)-pyridinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0842
N~1~,N~1~-dimethyl-4-[1-oxo-3-(4-pyridyl)-2-azaspiro[3.5]non-2-yl]tetrahydro-1(2H)-pyridinesulfonamide

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

S631-0842

Molecular Formula

C20H30N4O3S (C20 H30 N4 O3 S)

Compound Name

N~1~,N~1~-dimethyl-4-[1-oxo-3-(4-pyridyl)-2-azaspiro[3.5]non-2-yl]tetrahydro-1(2H)-pyridinesulfonamide

IUPAC name

NN-dimethyl-4-[1-oxo-3-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CCC1N(C(C12CCCCC2)c2ccncc2)C1=O)(=O)=O

InChI

InChI=1S/C20H30N4O3S/c1-22(2)28(26,27)23-14-8-17(9-15-23)24-18(16-6-12-21-13-7-16)20(19(24)25)10-4-3-5-11-20/h6-7,12-13,17-18H,3-5,8-11,14-15H2,1-2H3/t18-/m0/s1

InChI Key

KBMWADLEKODLOP-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-2.02

Polar Surface Area

60.702

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S631-0842 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S631-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0842?
Check Price and Availability of S631-0842, 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 S631-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0842
  • 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 S631-0842 available by request