S693-2147 Screening compound: 1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

S693-2147 Screening compound: 1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine
S693-2147 Screening compound: 1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-2147
1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-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

S693-2147

Molecular Formula

C17H29N3O (C17 H29 N3 O)

Compound Name

1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

IUPAC name

1-cyclopentyl-3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine

SMILES

Cc1cnc(COC)n1CC(CCC1)CN1C1CCCC1

InChI

InChI=1S/C17H29N3O/c1-14-10-18-17(13-21-2)20(14)12-15-6-5-9-19(11-15)16-7-3-4-8-16/h10,15-16H,3-9,11-13H2,1-2H3/t15-/m0/s1

InChI Key

TUGJZXIBHZOIAG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32225955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-1.85

Polar Surface Area

24.408

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

S693-2147 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S693-2147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-2147?
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What is the minimum amount of S693-2147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-2147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-2147
  • 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 S693-2147 available by request