S214-1413 Screening compound: 1-(furan-3-carbonyl)-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

S214-1413 Screening compound: 1-(furan-3-carbonyl)-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol
S214-1413 Screening compound: 1-(furan-3-carbonyl)-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-1413
1-(furan-3-carbonyl)-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

S214-1413

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

1-(furan-3-carbonyl)-4-phenyl-3-(pyrrolidin-1-yl)piperidin-4-ol

IUPAC name

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

SMILES

O[C@@](CCN(C1)C(c2cocc2)=O)([C@H]1N1CCCC1)c1ccccc1

InChI

InChI=1S/C20H24N2O3/c23-19(16-8-13-25-15-16)22-12-9-20(24,17-6-2-1-3-7-17)18(14-22)21-10-4-5-11-21/h1-3,6-8,13,15,18,24H,4-5,9-12,14H2/t18-,20+/m0/s1

InChI Key

IIYHKOYSEOUVLG-AZUAARDMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-1.93

Polar Surface Area

42.276

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S214-1413 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S214-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-1413?
Check Price and Availability of S214-1413, 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 S214-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-1413
  • 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 S214-1413 available by request