S635-5347 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone

S635-5347 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone
S635-5347 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-5347
(1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]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

S635-5347

Molecular Formula

C16H26N4O2 (C16 H26 N4 O2)

Compound Name

(1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone

IUPAC name

n/a

SMILES

CCn1ncc(C(N2CC3(CCNCC3)C(COC)C2)=O)c1

InChI

InChI=1S/C16H26N4O2/c1-3-20-9-13(8-18-20)15(21)19-10-14(11-22-2)16(12-19)4-6-17-7-5-16/h8-9,14,17H,3-7,10-12H2,1-2H3/t14-/m0/s1

InChI Key

QYNVBGDGMBXYKH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29014054

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.627

Distribution Coefficient, logD

-3.484

Water Solubility, LogSw

-0.63

Polar Surface Area

51.927

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S635-5347 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)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 S635-5347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-5347?
Check Price and Availability of S635-5347, 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 S635-5347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-5347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-5347
  • 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 S635-5347 available by request