T501-0868 Screening compound: N-benzyl-3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

T501-0868 Screening compound: N-benzyl-3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
T501-0868 Screening compound: N-benzyl-3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-0868
N-benzyl-3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

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

T501-0868

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

N-benzyl-3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

IUPAC name

N-benzyl-3-[(4-phenyl-4H-124-triazol-3-yl)methyl]piperidine-1-carboxamide

SMILES

O=C(NCc1ccccc1)N1CC(Cc2nncn2-c2ccccc2)CCC1

InChI

InChI=1S/C22H25N5O/c28-22(23-15-18-8-3-1-4-9-18)26-13-7-10-19(16-26)14-21-25-24-17-27(21)20-11-5-2-6-12-20/h1-6,8-9,11-12,17,19H,7,10,13-16H2,(H,23,28)/t19-/m1/s1

InChI Key

JVLQZRQUPAPOTB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD30467994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.26

Polar Surface Area

52.483

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

T501-0868 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with T501-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-0868?
Check Price and Availability of T501-0868, 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 T501-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-0868
  • 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 T501-0868 available by request