T786-0140 Screening compound: 3-{[4-(1-hydroxyethyl)piperidin-1-yl]methyl}benzonitrile

T786-0140 Screening compound: 3-{[4-(1-hydroxyethyl)piperidin-1-yl]methyl}benzonitrile
T786-0140 Screening compound: 3-{[4-(1-hydroxyethyl)piperidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T786-0140
3-{[4-(1-hydroxyethyl)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

T786-0140

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C1CCN(Cc2cc(C#N)ccc2)CC1)O

InChI

InChI=1S/C15H20N2O/c1-12(18)15-5-7-17(8-6-15)11-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,11H2,1H3/t12-/m0/s1

InChI Key

JODVMTOGBDEGON-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27623370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.34

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

1.747

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-1.45

Polar Surface Area

37.038

Acid Dissociation Constant (pKa)

17.27

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

T786-0140 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T786-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T786-0140?
Check Price and Availability of T786-0140, 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 T786-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T786-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T786-0140
  • 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 T786-0140 available by request