S214-1418 Screening compound: 1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

S214-1418 Screening compound: 1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol
S214-1418 Screening compound: 1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-1418
1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

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

S214-1418

Molecular Formula

C22H32N2O2 (C22 H32 N2 O2)

Compound Name

1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

IUPAC name

(3R4S)-1-cyclohexanecarbonyl-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

SMILES

O[C@@](CCN(C1)C(C2CCCCC2)=O)([C@H]1N1CCCC1)c1ccccc1

InChI

InChI=1S/C22H32N2O2/c25-21(18-9-3-1-4-10-18)24-16-13-22(26,19-11-5-2-6-12-19)20(17-24)23-14-7-8-15-23/h2,5-6,11-12,18,20,26H,1,3-4,7-10,13-17H2/t20-,22+/m0/s1

InChI Key

VWOAGDDAWZWWOK-RBBKRZOGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-3.09

Polar Surface Area

34.665

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

S214-1418 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-1418?
Check Price and Availability of S214-1418, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S214-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-1418
  • 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 S214-1418 available by request