S635-0098 Screening compound: [4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](3-thienyl)methanone

S635-0098 Screening compound: [4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](3-thienyl)methanone
S635-0098 Screening compound: [4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-0098
[4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](3-thienyl)methanone

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

S635-0098

Molecular Formula

C14H20N2O2S (C14 H20 N2 O2 S)

Compound Name

[4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](3-thienyl)methanone

IUPAC name

[2-(thiophene-3-carbonyl)-28-diazaspiro[4.5]decan-4-yl]methanol

SMILES

OCC(CN(C1)C(c2cscc2)=O)C11CCNCC1

InChI

InChI=1S/C14H20N2O2S/c17-8-12-7-16(13(18)11-1-6-19-9-11)10-14(12)2-4-15-5-3-14/h1,6,9,12,15,17H,2-5,7-8,10H2/t12-/m0/s1

InChI Key

CCYJTZWBOFRSPI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29013869

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

280.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.079

Distribution Coefficient, logD

-2.935

Water Solubility, LogSw

-1.94

Polar Surface Area

47.134

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.29

S635-0098 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S635-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-0098?
Check Price and Availability of S635-0098, 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 S635-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-0098
  • 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 S635-0098 available by request