P935-1781 Screening compound: [2-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone

P935-1781 Screening compound: [2-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone
P935-1781 Screening compound: [2-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-1781
[2-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](4-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

P935-1781

Molecular Formula

C20H21N5O (C20 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccncc1)N(CCCC1)C1c1nncn1Cc1ccccc1

InChI

InChI=1S/C20H21N5O/c26-20(17-9-11-21-12-10-17)25-13-5-4-8-18(25)19-23-22-15-24(19)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,15,18H,4-5,8,13-14H2/t18-/m0/s1

InChI Key

HRVDCGKHKQYRHG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29033280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-1.45

Polar Surface Area

50.094

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

P935-1781 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P935-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-1781?
Check Price and Availability of P935-1781, 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 P935-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-1781
  • 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 P935-1781 available by request