S693-0873 Screening compound: 2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-one

S693-0873 Screening compound: 2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-one
S693-0873 Screening compound: 2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0873
2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-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

S693-0873

Molecular Formula

C23H32N4O (C23 H32 N4 O)

Compound Name

2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-cyclohexyl-1-(3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)ethan-1-one

SMILES

Cc1cnc(-c2cnccc2)n1CC(CCC1)CN1C(CC1CCCCC1)=O

InChI

InChI=1S/C23H32N4O/c1-18-14-25-23(21-10-5-11-24-15-21)27(18)17-20-9-6-12-26(16-20)22(28)13-19-7-3-2-4-8-19/h5,10-11,14-15,19-20H,2-4,6-9,12-13,16-17H2,1H3/t20-/m0/s1

InChI Key

IFECFCAUMRMNSR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31984592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.66

Polar Surface Area

36.916

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S693-0873 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S693-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0873?
Check Price and Availability of S693-0873, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S693-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0873
  • 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 S693-0873 available by request