T630-1456 Screening compound: 4-({4-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile

T630-1456 Screening compound: 4-({4-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile
T630-1456 Screening compound: 4-({4-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-1456
4-({4-[5-(4-pyridyl)-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

T630-1456

Molecular Formula

C20H20N6 (C20 H20 N6)

Compound Name

4-({4-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile

IUPAC name

n/a

SMILES

N#Cc1ccc(CN(CC2)CCC2c2nnc(-c3ccncc3)[nH]2)cc1

InChI

InChI=1S/C20H20N6/c21-13-15-1-3-16(4-2-15)14-26-11-7-18(8-12-26)20-23-19(24-25-20)17-5-9-22-10-6-17/h1-6,9-10,18H,7-8,11-12,14H2,(H,23,24,25)

InChI Key

TYIGYBIPAOQDJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

0.984

Water Solubility, LogSw

-1.75

Polar Surface Area

63.969

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

T630-1456 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T630-1456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-1456?
Check Price and Availability of T630-1456, 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 T630-1456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-1456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-1456
  • 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 T630-1456 available by request