S693-1643 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine

S693-1643 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine
S693-1643 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1643
3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine

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

S693-1643

Molecular Formula

C20H27N3OS (C20 H27 N3 OS)

Compound Name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine

IUPAC name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine

SMILES

Cc1cnc(C2CCC2)n1CC(CCC1)CN1C(c1ccc(C)s1)=O

InChI

InChI=1S/C20H27N3OS/c1-14-11-21-19(17-6-3-7-17)23(14)13-16-5-4-10-22(12-16)20(24)18-9-8-15(2)25-18/h8-9,11,16-17H,3-7,10,12-13H2,1-2H3/t16-/m0/s1

InChI Key

KBROZWOVZPODRF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31977337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-3.69

Polar Surface Area

29.275

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S693-1643 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

References: we are preparing a list of scientific research reports with S693-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1643?
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What is the minimum amount of S693-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1643
  • 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 S693-1643 available by request