S914-0497 Screening compound: 7-[(3,4-dimethoxyphenyl)sulfonyl]-1-(4-pyridylmethyl)-1,7-diazaspiro[4.4]nonan-2-one

S914-0497 Screening compound: 7-[(3,4-dimethoxyphenyl)sulfonyl]-1-(4-pyridylmethyl)-1,7-diazaspiro[4.4]nonan-2-one
S914-0497 Screening compound: 7-[(3,4-dimethoxyphenyl)sulfonyl]-1-(4-pyridylmethyl)-1,7-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S914-0497
7-[(3,4-dimethoxyphenyl)sulfonyl]-1-(4-pyridylmethyl)-1,7-diazaspiro[4.4]nonan-2-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

S914-0497

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

7-[(3,4-dimethoxyphenyl)sulfonyl]-1-(4-pyridylmethyl)-1,7-diazaspiro[4.4]nonan-2-one

IUPAC name

7-(34-dimethoxybenzenesulfonyl)-1-[(pyridin-4-yl)methyl]-17-diazaspiro[4.4]nonan-2-one

SMILES

COc(ccc(S(N(CC1)CC1(CC1)N(Cc2ccncc2)C1=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C21H25N3O5S/c1-28-18-4-3-17(13-19(18)29-2)30(26,27)23-12-9-21(15-23)8-5-20(25)24(21)14-16-6-10-22-11-7-16/h3-4,6-7,10-11,13H,5,8-9,12,14-15H2,1-2H3/t21-/m0/s1

InChI Key

WZCPERMSNONDIE-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.329

Distribution Coefficient, logD

1.311

Water Solubility, LogSw

-2.17

Polar Surface Area

73.229

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S914-0497 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S914-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S914-0497?
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What is the minimum amount of S914-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S914-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S914-0497
  • 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 S914-0497 available by request