S697-0476 Screening compound: N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carboxamide

S697-0476 Screening compound: N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carboxamide
S697-0476 Screening compound: N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-0476
N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-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

S697-0476

Molecular Formula

C22H36N4O2 (C22 H36 N4 O2)

Compound Name

N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carboxamide

SMILES

Cc1cnc(C2CCOCC2)n1CC(CC1)CCN1C(NC1CCCCC1)=O

InChI

InChI=1S/C22H36N4O2/c1-17-15-23-21(19-9-13-28-14-10-19)26(17)16-18-7-11-25(12-8-18)22(27)24-20-5-3-2-4-6-20/h15,18-20H,2-14,16H2,1H3,(H,24,27)

InChI Key

CELWSTWESVLJAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.79

Polar Surface Area

45.769

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

S697-0476 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S697-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-0476?
Check Price and Availability of S697-0476, 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 S697-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-0476
  • 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 S697-0476 available by request