S651-0684 Screening compound: 8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane

S651-0684 Screening compound: 8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
S651-0684 Screening compound: 8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-0684
8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane

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

S651-0684

Molecular Formula

C21H35N5O2 (C21 H35 N5 O2)

Compound Name

8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane

IUPAC name

8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-28-diazaspiro[4.5]decane

SMILES

CCn1nc(C)c(CN2CCC(C3)(CN(C)C3C(N3CCOCC3)=O)CC2)c1

InChI

InChI=1S/C21H35N5O2/c1-4-26-15-18(17(2)22-26)14-24-7-5-21(6-8-24)13-19(23(3)16-21)20(27)25-9-11-28-12-10-25/h15,19H,4-14,16H2,1-3H3/t19-/m0/s1

InChI Key

NTCAFHOIVHPPPX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31996565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.082

Distribution Coefficient, logD

-5.613

Water Solubility, LogSw

-0.18

Polar Surface Area

46.990

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

13.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

S651-0684 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S651-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-0684?
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What is the minimum amount of S651-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-0684
  • 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 S651-0684 available by request