S635-0448 Screening compound: [2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

S635-0448 Screening compound: [2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
S635-0448 Screening compound: [2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-0448
[2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

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

S635-0448

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

[2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

IUPAC name

[2-benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-28-diazaspiro[4.5]decan-4-yl]methanol

SMILES

Cn1ncc(C(N(CC2)CCC22C(CO)CN(Cc3ccccc3)C2)=O)c1

InChI

InChI=1S/C21H28N4O2/c1-23-13-18(11-22-23)20(27)25-9-7-21(8-10-25)16-24(14-19(21)15-26)12-17-5-3-2-4-6-17/h2-6,11,13,19,26H,7-10,12,14-16H2,1H3/t19-/m1/s1

InChI Key

UPTUOEPTUIDBIH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29013871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

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

0.706

Distribution Coefficient, logD

-2.640

Water Solubility, LogSw

-1.18

Polar Surface Area

52.505

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

S635-0448 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S635-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-0448?
Check Price and Availability of S635-0448, 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 S635-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-0448
  • 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 S635-0448 available by request