T633-2572 Screening compound: [3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyridyl)methanone

T633-2572 Screening compound: [3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyridyl)methanone
T633-2572 Screening compound: [3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-2572
[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyridyl)methanone

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

T633-2572

Molecular Formula

C19H19N5O (C19 H19 N5 O)

Compound Name

[3-(4-phenyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyridyl)methanone

IUPAC name

2-[3-(4-phenyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]pyridine

SMILES

O=C(c1ncccc1)N(CCC1)CC1c1nncn1-c1ccccc1

InChI

InChI=1S/C19H19N5O/c25-19(17-10-4-5-11-20-17)23-12-6-7-15(13-23)18-22-21-14-24(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2/t15-/m0/s1

InChI Key

UJQNATTUZIBDHU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27622820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-1.72

Polar Surface Area

50.412

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

T633-2572 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T633-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-2572?
Check Price and Availability of T633-2572, 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 T633-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-2572
  • 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 T633-2572 available by request