T633-1997 Screening compound: 3-{[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}benzonitrile

T633-1997 Screening compound: 3-{[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}benzonitrile
T633-1997 Screening compound: 3-{[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-1997
3-{[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino]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

T633-1997

Molecular Formula

C21H21N5 (C21 H21 N5)

Compound Name

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

IUPAC name

n/a

SMILES

N#Cc1cc(CN(CCC2)CC2c2nncn2-c2ccccc2)ccc1

InChI

InChI=1S/C21H21N5/c22-13-17-6-4-7-18(12-17)14-25-11-5-8-19(15-25)21-24-23-16-26(21)20-9-2-1-3-10-20/h1-4,6-7,9-10,12,16,19H,5,8,11,14-15H2/t19-/m0/s1

InChI Key

JFULIIIUJWTTRD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27622754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.56

Polar Surface Area

45.504

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

T633-1997 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T633-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-1997?
Check Price and Availability of T633-1997, 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 T633-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-1997
  • 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 T633-1997 available by request