S651-1237 Screening compound: 2-methyl-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

S651-1237 Screening compound: 2-methyl-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
S651-1237 Screening compound: 2-methyl-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-1237
2-methyl-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-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

S651-1237

Molecular Formula

C20H28N6O3S (C20 H28 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC(C1)(CC2)CCN2S(c2cn(C)cn2)(=O)=O)C1C(NCc1ncccc1)=O

InChI

InChI=1S/C20H28N6O3S/c1-24-13-18(23-15-24)30(28,29)26-9-6-20(7-10-26)11-17(25(2)14-20)19(27)22-12-16-5-3-4-8-21-16/h3-5,8,13,15,17H,6-7,9-12,14H2,1-2H3,(H,22,27)/t17-/m1/s1

InChI Key

YKKDOOIEACHLLA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31953563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.361

Distribution Coefficient, logD

-0.424

Water Solubility, LogSw

-2.19

Polar Surface Area

81.924

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S651-1237 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
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 S651-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-1237?
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What is the minimum amount of S651-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-1237
  • 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 S651-1237 available by request