S693-1685 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one

S693-1685 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one
S693-1685 Screening compound: 1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1685
1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one

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

S693-1685

Molecular Formula

C22H35N3O (C22 H35 N3 O)

Compound Name

1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one

IUPAC name

1-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-cyclohexylethan-1-one

SMILES

Cc1cnc(C2CCC2)n1CC(CCC1)CN1C(CC1CCCCC1)=O

InChI

InChI=1S/C22H35N3O/c1-17-14-23-22(20-10-5-11-20)25(17)16-19-9-6-12-24(15-19)21(26)13-18-7-3-2-4-8-18/h14,18-20H,2-13,15-16H2,1H3/t19-/m0/s1

InChI Key

YXGMIIRMJJMPND-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31997219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-4.00

Polar Surface Area

27.921

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.82

S693-1685 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S693-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1685?
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What is the minimum amount of S693-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1685
  • 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 S693-1685 available by request