S229-1106 Screening compound: N-{1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide

S229-1106 Screening compound: N-{1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide
S229-1106 Screening compound: N-{1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-1106
N-{1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide

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

S229-1106

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

N-{1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide

IUPAC name

N-[(3S4S)-1-[(3-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide

SMILES

N#Cc1cccc(CN(CC[C@H]2CO)C[C@@H]2NC(c2ccccc2)=O)c1

InChI

InChI=1S/C21H23N3O2/c22-12-16-5-4-6-17(11-16)13-24-10-9-19(15-25)20(14-24)23-21(26)18-7-2-1-3-8-18/h1-8,11,19-20,25H,9-10,13-15H2,(H,23,26)/t19-,20-/m0/s1

InChI Key

OBTUKNOZPLAIHU-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

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

1.667

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.17

Polar Surface Area

62.412

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S229-1106 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S229-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-1106?
Check Price and Availability of S229-1106, 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 S229-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-1106
  • 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 S229-1106 available by request