S651-1296 Screening compound: 8-(1-ethyl-1H-pyrazole-4-carbonyl)-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

S651-1296 Screening compound: 8-(1-ethyl-1H-pyrazole-4-carbonyl)-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
S651-1296 Screening compound: 8-(1-ethyl-1H-pyrazole-4-carbonyl)-2-methyl-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-1296
8-(1-ethyl-1H-pyrazole-4-carbonyl)-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

S651-1296

Molecular Formula

C22H30N6O2 (C22 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1ncc(C(N2CCC(C3)(CN(C)C3C(NCc3ncccc3)=O)CC2)=O)c1

InChI

InChI=1S/C22H30N6O2/c1-3-28-15-17(13-25-28)21(30)27-10-7-22(8-11-27)12-19(26(2)16-22)20(29)24-14-18-6-4-5-9-23-18/h4-6,9,13,15,19H,3,7-8,10-12,14,16H2,1-2H3,(H,24,29)/t19-/m1/s1

InChI Key

HRUKUOBQVAVARC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31953880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.291

Distribution Coefficient, logD

-0.376

Water Solubility, LogSw

-1.58

Polar Surface Area

68.952

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S651-1296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S651-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-1296?
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What is the minimum amount of S651-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-1296
  • 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 S651-1296 available by request