S693-2129 Screening compound: 3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide

S693-2129 Screening compound: 3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
S693-2129 Screening compound: 3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-2129
3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide

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

S693-2129

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide

IUPAC name

3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide

SMILES

Cc1cnc(COC)n1CC(CCC1)CN1C(NCCc1ccccc1)=O

InChI

InChI=1S/C21H30N4O2/c1-17-13-23-20(16-27-2)25(17)15-19-9-6-12-24(14-19)21(26)22-11-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-16H2,1-2H3,(H,22,26)/t19-/m0/s1

InChI Key

AQUOKZAYEYVVJS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31966488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.62

Polar Surface Area

47.389

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S693-2129 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S693-2129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-2129?
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What is the minimum amount of S693-2129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-2129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-2129
  • 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 S693-2129 available by request