S693-1018 Screening compound: 1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-1,4'-bipiperidine

S693-1018 Screening compound: 1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-1,4'-bipiperidine
S693-1018 Screening compound: 1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1018
1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-1,4'-bipiperidine

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

S693-1018

Molecular Formula

C22H33N5 (C22 H33 N5)

Compound Name

1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-1,4'-bipiperidine

IUPAC name

1'-ethyl-3-{[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]methyl}-14'-bipiperidine

SMILES

CCN(CC1)CCC1N1CC(Cn2c(-c3cccnc3)ncc2C)CCC1

InChI

InChI=1S/C22H33N5/c1-3-25-12-8-21(9-13-25)26-11-5-6-19(16-26)17-27-18(2)14-24-22(27)20-7-4-10-23-15-20/h4,7,10,14-15,19,21H,3,5-6,8-9,11-13,16-17H2,1-2H3/t19-/m0/s1

InChI Key

UXCZUFVXNKFKNY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32226122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

0.722

Water Solubility, LogSw

-1.68

Polar Surface Area

27.425

Acid Dissociation Constant (pKa)

23.99

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S693-1018 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S693-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1018?
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What is the minimum amount of S693-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1018
  • 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 S693-1018 available by request