S229-0754 Screening compound: N-{1-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}cyclopropanecarboxamide

S229-0754 Screening compound: N-{1-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}cyclopropanecarboxamide
S229-0754 Screening compound: N-{1-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0754
N-{1-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)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

S229-0754

Molecular Formula

C17H22ClFN2O2 (C17 H22 ClFN2 O2)

Compound Name

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

IUPAC name

N-[(3S4S)-1-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide

SMILES

OC[C@H](CCN(Cc1cccc(Cl)c1F)C1)[C@H]1NC(C1CC1)=O

InChI

InChI=1S/C17H22ClFN2O2/c18-14-3-1-2-12(16(14)19)8-21-7-6-13(10-22)15(9-21)20-17(23)11-4-5-11/h1-3,11,13,15,22H,4-10H2,(H,20,23)/t13-,15-/m1/s1

InChI Key

CCFSHYAKTDYKQT-UKRRQHHQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-2.89

Polar Surface Area

45.879

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

S229-0754 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S229-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0754?
Check Price and Availability of S229-0754, 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 S229-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0754
  • 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 S229-0754 available by request