S635-3404 Screening compound: 3-{[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile

S635-3404 Screening compound: 3-{[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile
S635-3404 Screening compound: 3-{[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-3404
3-{[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile

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

S635-3404

Molecular Formula

C17H23N3O3S (C17 H23 N3 O3 S)

Compound Name

3-{[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile

IUPAC name

3-{[4-(methoxymethyl)-28-diazaspiro[4.5]decan-2-yl]sulfonyl}benzonitrile

SMILES

COCC(CN(C1)S(c2cc(C#N)ccc2)(=O)=O)C11CCNCC1

InChI

InChI=1S/C17H23N3O3S/c1-23-12-15-11-20(13-17(15)5-7-19-8-6-17)24(21,22)16-4-2-3-14(9-16)10-18/h2-4,9,15,19H,5-8,11-13H2,1H3/t15-/m0/s1

InChI Key

RXTWEJXDZAEREX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29013219

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.532

Distribution Coefficient, logD

-2.185

Water Solubility, LogSw

-2.29

Polar Surface Area

69.544

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S635-3404 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S635-3404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-3404?
Check Price and Availability of S635-3404, 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 S635-3404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-3404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-3404
  • 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 S635-3404 available by request