S698-2171 Screening compound: 1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-1-one

S698-2171 Screening compound: 1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-1-one
S698-2171 Screening compound: 1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-2171
1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-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

S698-2171

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-1-one

IUPAC name

1-{4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidin-1-yl}-2-phenoxypropan-1-one

SMILES

CC(C(N(CC1)CCC1n1c(COC)ncc1C)=O)Oc1ccccc1

InChI

InChI=1S/C20H27N3O3/c1-15-13-21-19(14-25-3)23(15)17-9-11-22(12-10-17)20(24)16(2)26-18-7-5-4-6-8-18/h4-8,13,16-17H,9-12,14H2,1-3H3/t16-/m0/s1

InChI Key

OQGWDOPQTISFQX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31996759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

0.623

Water Solubility, LogSw

-2.15

Polar Surface Area

44.645

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S698-2171 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S698-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-2171?
Check Price and Availability of S698-2171, 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 S698-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-2171
  • 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 S698-2171 available by request