T786-0779 Screening compound: 4-({4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl}methyl)benzonitrile

T786-0779 Screening compound: 4-({4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl}methyl)benzonitrile
T786-0779 Screening compound: 4-({4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T786-0779
4-({4-[hydroxy(pyridin-2-yl)methyl]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

T786-0779

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

4-({4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl}methyl)benzonitrile

IUPAC name

4-({4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl}methyl)benzonitrile

SMILES

N#Cc1ccc(CN(CC2)CCC2C(c2ncccc2)O)cc1

InChI

InChI=1S/C19H21N3O/c20-13-15-4-6-16(7-5-15)14-22-11-8-17(9-12-22)19(23)18-3-1-2-10-21-18/h1-7,10,17,19,23H,8-9,11-12,14H2/t19-/m0/s1

InChI Key

VLXBEDZZPJAVJI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27623386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

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

1.841

Distribution Coefficient, logD

1.047

Water Solubility, LogSw

-1.58

Polar Surface Area

45.488

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T786-0779 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T786-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T786-0779?
Check Price and Availability of T786-0779, 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 T786-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T786-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T786-0779
  • 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 T786-0779 available by request