S693-0165 Screening compound: 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

S693-0165 Screening compound: 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine
S693-0165 Screening compound: 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0165
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]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

S693-0165

Molecular Formula

C21H26N4S (C21 H26 N4 S)

Compound Name

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

IUPAC name

1-[(4-methyl-13-thiazol-5-yl)methyl]-3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidine

SMILES

Cc1cnc(-c2ccccc2)n1CC1CN(Cc2c(C)ncs2)CCC1

InChI

InChI=1S/C21H26N4S/c1-16-11-22-21(19-8-4-3-5-9-19)25(16)13-18-7-6-10-24(12-18)14-20-17(2)23-15-26-20/h3-5,8-9,11,15,18H,6-7,10,12-14H2,1-2H3/t18-/m0/s1

InChI Key

SYPVRARWRWTARH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31966546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.53

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

3.804

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.92

Polar Surface Area

25.023

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S693-0165 in Drug Discovery

Included in Screening Libraries

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 S693-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0165?
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What is the minimum amount of S693-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0165
  • 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 S693-0165 available by request