S693-0058 Screening compound: 2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

S693-0058 Screening compound: 2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one
S693-0058 Screening compound: 2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0058
2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

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

S693-0058

Molecular Formula

C24H26FN3O2 (C24 H26 FN3 O2)

Compound Name

2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-(4-fluorophenoxy)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

SMILES

Cc1cnc(-c2ccccc2)n1CC(CCC1)CN1C(COc(cc1)ccc1F)=O

InChI

InChI=1S/C24H26FN3O2/c1-18-14-26-24(20-7-3-2-4-8-20)28(18)16-19-6-5-13-27(15-19)23(29)17-30-22-11-9-21(25)10-12-22/h2-4,7-12,14,19H,5-6,13,15-17H2,1H3/t19-/m0/s1

InChI Key

VZFQCNZWENQWRT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31987308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-3.77

Polar Surface Area

34.705

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S693-0058 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S693-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0058?
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What is the minimum amount of S693-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0058
  • 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 S693-0058 available by request