S229-0254 Screening compound: [(3S,4S)-1-(2-chloro-3,4-dimethoxybenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methanol

S229-0254 Screening compound: [(3S,4S)-1-(2-chloro-3,4-dimethoxybenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methanol
S229-0254 Screening compound: [(3S,4S)-1-(2-chloro-3,4-dimethoxybenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0254
[(3S,4S)-1-(2-chloro-3,4-dimethoxybenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methanol

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

S229-0254

Molecular Formula

C17H27ClN2O3 (C17 H27 ClN2 O3)

Compound Name

[(3S,4S)-1-(2-chloro-3,4-dimethoxybenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methanol

IUPAC name

n/a

SMILES

CN(C)[C@@H]1[C@H](CO)CCN(Cc(c(Cl)c2OC)ccc2OC)C1

InChI

InChI=1S/C17H27ClN2O3/c1-19(2)14-10-20(8-7-13(14)11-21)9-12-5-6-15(22-3)17(23-4)16(12)18/h5-6,13-14,21H,7-11H2,1-4H3/t13-,14+/m1/s1

InChI Key

DPBDHMARRFUKDQ-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.846

Distribution Coefficient, logD

0.054

Water Solubility, LogSw

-2.52

Polar Surface Area

38.278

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

S229-0254 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S229-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0254?
Check Price and Availability of S229-0254, 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 S229-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0254
  • 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 S229-0254 available by request