S617-0833 Screening compound: N-[4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-carboxamide

S617-0833 Screening compound: N-[4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-carboxamide
S617-0833 Screening compound: N-[4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0833
N-[4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-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

S617-0833

Molecular Formula

C20H22F3N3O2 (C20 H22 F3 N3 O2)

Compound Name

N-[4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-carboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]pyridine-3-carboxamide

SMILES

OC[C@H](CCN(Cc1ccc(C(F)(F)F)cc1)C1)[C@H]1NC(c1cnccc1)=O

InChI

InChI=1S/C20H22F3N3O2/c21-20(22,23)17-5-3-14(4-6-17)11-26-9-7-16(13-27)18(12-26)25-19(28)15-2-1-8-24-10-15/h1-6,8,10,16,18,27H,7,9,11-13H2,(H,25,28)/t16-,18+/m1/s1

InChI Key

NLFCNUOQVORUDD-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-1.93

Polar Surface Area

54.874

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S617-0833 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S617-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0833?
Check Price and Availability of S617-0833, 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 S617-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0833
  • 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 S617-0833 available by request