S229-0214 Screening compound: 3-{[3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

S229-0214 Screening compound: 3-{[3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile
S229-0214 Screening compound: 3-{[3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0214
3-{[3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

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

S229-0214

Molecular Formula

C16H23N3O (C16 H23 N3 O)

Compound Name

3-{[3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

IUPAC name

3-{[(3S4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

SMILES

CN(C)[C@@H]1[C@H](CO)CCN(Cc2cc(C#N)ccc2)C1

InChI

InChI=1S/C16H23N3O/c1-18(2)16-11-19(7-6-15(16)12-20)10-14-5-3-4-13(8-14)9-17/h3-5,8,15-16,20H,6-7,10-12H2,1-2H3/t15-,16-/m0/s1

InChI Key

XXQYGFNPNJSHSO-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.820

Distribution Coefficient, logD

-0.972

Water Solubility, LogSw

-1.05

Polar Surface Area

39.987

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

S229-0214 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 S229-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0214?
Check Price and Availability of S229-0214, 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 S229-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0214
  • 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 S229-0214 available by request