S696-1543 Screening compound: 4-{5-methyl-1-[(1-tetrahydro-2H-pyran-4-yl-3-azetanyl)methyl]-1H-imidazol-2-yl}pyridine

S696-1543 Screening compound: 4-{5-methyl-1-[(1-tetrahydro-2H-pyran-4-yl-3-azetanyl)methyl]-1H-imidazol-2-yl}pyridine
S696-1543 Screening compound: 4-{5-methyl-1-[(1-tetrahydro-2H-pyran-4-yl-3-azetanyl)methyl]-1H-imidazol-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1543
4-{5-methyl-1-[(1-tetrahydro-2H-pyran-4-yl-3-azetanyl)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

S696-1543

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2ccncc2)n1CC(C1)CN1C1CCOCC1

InChI

InChI=1S/C18H24N4O/c1-14-10-20-18(16-2-6-19-7-3-16)22(14)13-15-11-21(12-15)17-4-8-23-9-5-17/h2-3,6-7,10,15,17H,4-5,8-9,11-13H2,1H3

InChI Key

LECFANAJOIIMEN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

-2.201

Water Solubility, LogSw

-1.08

Polar Surface Area

31.972

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

11.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S696-1543 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S696-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1543?
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What is the minimum amount of S696-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1543
  • 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 S696-1543 available by request