T633-0489 Screening compound: 4-{[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile

T633-0489 Screening compound: 4-{[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
T633-0489 Screening compound: 4-{[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-0489
4-{[3-(4-benzyl-4H-1,2,4-triazol-3-yl)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

T633-0489

Molecular Formula

C22H23N5 (C22 H23 N5)

Compound Name

4-{[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile

IUPAC name

4-{[3-(4-benzyl-4H-124-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile

SMILES

N#Cc1ccc(CN(CCC2)CC2c2nncn2Cc2ccccc2)cc1

InChI

InChI=1S/C22H23N5/c23-13-18-8-10-20(11-9-18)14-26-12-4-7-21(16-26)22-25-24-17-27(22)15-19-5-2-1-3-6-19/h1-3,5-6,8-11,17,21H,4,7,12,14-16H2/t21-/m0/s1

InChI Key

SASNVZIZIVSPEY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27622703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-2.68

Polar Surface Area

45.045

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

T633-0489 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T633-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-0489?
Check Price and Availability of T633-0489, 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 T633-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-0489
  • 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 T633-0489 available by request