T786-0781 Screening compound: [1-(2,4-difluorobenzyl)-4-piperidyl](2-pyridyl)methanol

T786-0781 Screening compound: [1-(2,4-difluorobenzyl)-4-piperidyl](2-pyridyl)methanol
T786-0781 Screening compound: [1-(2,4-difluorobenzyl)-4-piperidyl](2-pyridyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound T786-0781
[1-(2,4-difluorobenzyl)-4-piperidyl](2-pyridyl)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

T786-0781

Molecular Formula

C18H20F2N2O (C18 H20 F2 N2 O)

Compound Name

[1-(2,4-difluorobenzyl)-4-piperidyl](2-pyridyl)methanol

IUPAC name

{1-[(24-difluorophenyl)methyl]piperidin-4-yl}(pyridin-2-yl)methanol

SMILES

OC(C1CCN(Cc(ccc(F)c2)c2F)CC1)c1ncccc1

InChI

InChI=1S/C18H20F2N2O/c19-15-5-4-14(16(20)11-15)12-22-9-6-13(7-10-22)18(23)17-3-1-2-8-21-17/h1-5,8,11,13,18,23H,6-7,9-10,12H2/t18-/m0/s1

InChI Key

OVDVLPUURBKNFM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27623387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.20

Polar Surface Area

28.432

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

T786-0781 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T786-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T786-0781?
Check Price and Availability of T786-0781, 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 T786-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T786-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T786-0781
  • 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 T786-0781 available by request