S693-1273 Screening compound: 4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

S693-1273 Screening compound: 4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine
S693-1273 Screening compound: 4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1273
4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

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

S693-1273

Molecular Formula

C21H30N4 (C21 H30 N4)

Compound Name

4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

IUPAC name

4-{1-[(1-cyclohexylpiperidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

SMILES

Cc1cnc(-c2ccncc2)n1CC(CCC1)CN1C1CCCCC1

InChI

InChI=1S/C21H30N4/c1-17-14-23-21(19-9-11-22-12-10-19)25(17)16-18-6-5-13-24(15-18)20-7-3-2-4-8-20/h9-12,14,18,20H,2-8,13,15-16H2,1H3/t18-/m0/s1

InChI Key

BLRXGYBZZUCTLK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31966185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-3.53

Polar Surface Area

23.799

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S693-1273 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 S693-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1273?
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What is the minimum amount of S693-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1273
  • 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 S693-1273 available by request