S693-0001 Screening compound: 3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

S693-0001 Screening compound: 3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine
S693-0001 Screening compound: 3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0001
3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

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

S693-0001

Molecular Formula

C16H21N3 (C16 H21 N3)

Compound Name

3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

IUPAC name

3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

SMILES

Cc1cnc(-c2ccccc2)n1CC1CNCCC1

InChI

InChI=1S/C16H21N3/c1-13-10-18-16(15-7-3-2-4-8-15)19(13)12-14-6-5-9-17-11-14/h2-4,7-8,10,14,17H,5-6,9,11-12H2,1H3/t14-/m0/s1

InChI Key

XZYYDISDJKVDNC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28897923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

-0.558

Water Solubility, LogSw

-1.96

Polar Surface Area

23.235

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S693-0001 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • 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 S693-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0001?
Check Price and Availability of S693-0001, 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 S693-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0001
  • 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 S693-0001 available by request