S693-1678 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine

S693-1678 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine
S693-1678 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1678
3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(2,4-dimethyl-1,3-thiazole-5-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

S693-1678

Molecular Formula

C20H28N4OS (C20 H28 N4 OS)

Compound Name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine

IUPAC name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(24-dimethyl-13-thiazole-5-carbonyl)piperidine

SMILES

Cc1cnc(C2CCC2)n1CC(CCC1)CN1C(c1c(C)nc(C)s1)=O

InChI

InChI=1S/C20H28N4OS/c1-13-10-21-19(17-7-4-8-17)24(13)12-16-6-5-9-23(11-16)20(25)18-14(2)22-15(3)26-18/h10,16-17H,4-9,11-12H2,1-3H3/t16-/m0/s1

InChI Key

NIDGBCCWECDRIO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32226187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.53

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

3.177

Distribution Coefficient, logD

0.930

Water Solubility, LogSw

-2.97

Polar Surface Area

38.645

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S693-1678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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 S693-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1678?
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What is the minimum amount of S693-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1678
  • 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 S693-1678 available by request