S229-1135 Screening compound: N-[(3S,4S)-4-(hydroxymethyl)-1-(4-methoxybenzyl)hexahydro-3-pyridinyl]benzamide

S229-1135 Screening compound: N-[(3S,4S)-4-(hydroxymethyl)-1-(4-methoxybenzyl)hexahydro-3-pyridinyl]benzamide
S229-1135 Screening compound: N-[(3S,4S)-4-(hydroxymethyl)-1-(4-methoxybenzyl)hexahydro-3-pyridinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-1135
N-[(3S,4S)-4-(hydroxymethyl)-1-(4-methoxybenzyl)hexahydro-3-pyridinyl]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

S229-1135

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

N-[(3S,4S)-4-(hydroxymethyl)-1-(4-methoxybenzyl)hexahydro-3-pyridinyl]benzamide

IUPAC name

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

SMILES

COc1ccc(CN(CC[C@H]2CO)C[C@@H]2NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C21H26N2O3/c1-26-19-9-7-16(8-10-19)13-23-12-11-18(15-24)20(14-23)22-21(25)17-5-3-2-4-6-17/h2-10,18,20,24H,11-15H2,1H3,(H,22,25)/t18-,20-/m0/s1

InChI Key

CUKOCTAMDCBWRP-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

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

2.075

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-2.36

Polar Surface Area

52.900

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

S229-1135 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with S229-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-1135?
Check Price and Availability of S229-1135, 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 S229-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-1135
  • 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 S229-1135 available by request