S693-1818 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

S693-1818 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
S693-1818 Screening compound: 3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-1818
3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

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

S693-1818

Molecular Formula

C21H27FN4O (C21 H27 FN4 O)

Compound Name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

IUPAC name

3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

SMILES

Cc1cnc(C2CCC2)n1CC(CCC1)CN1C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C21H27FN4O/c1-15-12-23-20(17-7-4-8-17)26(15)14-16-6-5-11-25(13-16)21(27)24-19-10-3-2-9-18(19)22/h2-3,9-10,12,16-17H,4-8,11,13-14H2,1H3,(H,24,27)/t16-/m0/s1

InChI Key

XDYMDVZXAJNWSF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31975601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-3.77

Polar Surface Area

36.380

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S693-1818 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 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

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

References: we are preparing a list of scientific research reports with S693-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-1818?
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What is the minimum amount of S693-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-1818
  • 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 S693-1818 available by request