S229-0745 Screening compound: N-[4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide

S229-0745 Screening compound: N-[4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide
S229-0745 Screening compound: N-[4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0745
N-[4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide

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

S229-0745

Molecular Formula

C18H23F3N2O2 (C18 H23 F3 N2 O2)

Compound Name

N-[4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-3-yl]cyclopropanecarboxamide

SMILES

OC[C@H](CCN(Cc1c(C(F)(F)F)cccc1)C1)[C@H]1NC(C1CC1)=O

InChI

InChI=1S/C18H23F3N2O2/c19-18(20,21)15-4-2-1-3-13(15)9-23-8-7-14(11-24)16(10-23)22-17(25)12-5-6-12/h1-4,12,14,16,24H,5-11H2,(H,22,25)/t14-,16+/m1/s1

InChI Key

XJVFMNYJRFFTPT-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.75

Polar Surface Area

45.879

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

S229-0745 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S229-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0745?
Check Price and Availability of S229-0745, 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 S229-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0745
  • 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 S229-0745 available by request