S651-1295 Screening compound: 8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

S651-1295 Screening compound: 8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
S651-1295 Screening compound: 8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-1295
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

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

S651-1295

Molecular Formula

C22H32N6O (C22 H32 N6 O)

Compound Name

8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(pyridin-2-yl)methyl]-28-diazaspiro[4.5]decane-3-carboxamide

SMILES

CCn1ncc(CN2CCC(C3)(CN(C)C3C(NCc3ncccc3)=O)CC2)c1

InChI

InChI=1S/C22H32N6O/c1-3-28-16-18(13-25-28)15-27-10-7-22(8-11-27)12-20(26(2)17-22)21(29)24-14-19-6-4-5-9-23-19/h4-6,9,13,16,20H,3,7-8,10-12,14-15,17H2,1-2H3,(H,24,29)/t20-/m0/s1

InChI Key

OIRLJDCUVNDYSV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31955005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.298

Distribution Coefficient, logD

-5.613

Water Solubility, LogSw

-1.61

Polar Surface Area

56.036

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

13.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S651-1295 in Drug Discovery

Included in Screening Libraries

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

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 S651-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-1295?
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What is the minimum amount of S651-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-1295
  • 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 S651-1295 available by request