S635-4434 Screening compound: 2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (3-pyridyl) sulfone

S635-4434 Screening compound: 2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (3-pyridyl) sulfone
S635-4434 Screening compound: 2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (3-pyridyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-4434
2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (3-pyridyl) 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

S635-4434

Molecular Formula

C19H29N3O3S (C19 H29 N3 O3 S)

Compound Name

2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (3-pyridyl) sulfone

IUPAC name

2-cyclobutyl-4-(methoxymethyl)-8-(pyridine-3-sulfonyl)-28-diazaspiro[4.5]decane

SMILES

COCC(CN(C1)C2CCC2)C1(CC1)CCN1S(c1cnccc1)(=O)=O

InChI

InChI=1S/C19H29N3O3S/c1-25-14-16-13-21(17-4-2-5-17)15-19(16)7-10-22(11-8-19)26(23,24)18-6-3-9-20-12-18/h3,6,9,12,16-17H,2,4-5,7-8,10-11,13-15H2,1H3/t16-/m1/s1

InChI Key

GXOPGSSDQQUVGX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29017157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

-4.733

Water Solubility, LogSw

-1.72

Polar Surface Area

53.469

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

13.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S635-4434 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S635-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-4434?
Check Price and Availability of S635-4434, 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 S635-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-4434
  • 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 S635-4434 available by request