T629-1404 Screening compound: 3-({3-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile

T629-1404 Screening compound: 3-({3-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile
T629-1404 Screening compound: 3-({3-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-1404
3-({3-[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

T629-1404

Molecular Formula

C20H20N6 (C20 H20 N6)

Compound Name

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

IUPAC name

n/a

SMILES

N#Cc1cc(CN(CCC2)CC2c2nnc(-c3ccncc3)[nH]2)ccc1

InChI

InChI=1S/C20H20N6/c21-12-15-3-1-4-16(11-15)13-26-10-2-5-18(14-26)20-23-19(24-25-20)17-6-8-22-9-7-17/h1,3-4,6-9,11,18H,2,5,10,13-14H2,(H,23,24,25)/t18-/m0/s1

InChI Key

UDXMZPVUVIODBZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29028350

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

1.690

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-1.52

Polar Surface Area

63.902

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

T629-1404 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-1404?
Check Price and Availability of T629-1404, 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 T629-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-1404
  • 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 T629-1404 available by request