S693-0054 Screening compound: 3-(4-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propan-1-one

S693-0054 Screening compound: 3-(4-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propan-1-one
S693-0054 Screening compound: 3-(4-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0054
3-(4-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propan-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

S693-0054

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2ccccc2)n1CC(CCC1)CN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C26H31N3O2/c1-20-17-27-26(23-8-4-3-5-9-23)29(20)19-22-7-6-16-28(18-22)25(30)15-12-21-10-13-24(31-2)14-11-21/h3-5,8-11,13-14,17,22H,6-7,12,15-16,18-19H2,1-2H3/t22-/m0/s1

InChI Key

VHEHJAZVPYQZQY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31966484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.34

Polar Surface Area

34.750

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S693-0054 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 S693-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0054?
Check Price and Availability of S693-0054, 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 S693-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0054
  • 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 S693-0054 available by request