S229-1101 Screening compound: N-{1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide

S229-1101 Screening compound: N-{1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide
S229-1101 Screening compound: N-{1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-1101
N-{1-[(4-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

S229-1101

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1ccc(CN(CC[C@H]2CO)C[C@@H]2NC(c2ccccc2)=O)cc1

InChI

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

InChI Key

RKXRQNQBIKSGMB-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

1.747

Distribution Coefficient, logD

1.712

Water Solubility, LogSw

-2.15

Polar Surface Area

62.412

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S229-1101 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S229-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-1101?
Check Price and Availability of S229-1101, 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 S229-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-1101
  • 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 S229-1101 available by request