S693-1642 Screening compound: 4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

S693-1642 Screening compound: 4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile
S693-1642 Screening compound: 4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1642
4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

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

S693-1642

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}benzonitrile

SMILES

Cc1cnc(C2CCC2)n1CC(CCC1)CN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C22H26N4O/c1-16-13-24-21(19-5-2-6-19)26(16)15-18-4-3-11-25(14-18)22(27)20-9-7-17(12-23)8-10-20/h7-10,13,18-19H,2-6,11,14-15H2,1H3/t18-/m0/s1

InChI Key

JLNVLYDAFRRUDQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31997217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

0.560

Water Solubility, LogSw

-2.77

Polar Surface Area

45.313

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S693-1642 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 S693-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1642?
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What is the minimum amount of S693-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1642
  • 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 S693-1642 available by request