P496-0894 Screening compound: 2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

P496-0894 Screening compound: 2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide
P496-0894 Screening compound: 2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-0894
2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

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

P496-0894

Molecular Formula

C15H15N5OS (C15 H15 N5 OS)

Compound Name

2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

IUPAC name

2-[3-(pyridin-2-yl)-1H-124-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

SMILES

O=C(Cc1nc(-c2ncccc2)n[nH]1)NCCc1cccs1

InChI

InChI=1S/C15H15N5OS/c21-14(17-8-6-11-4-3-9-22-11)10-13-18-15(20-19-13)12-5-1-2-7-16-12/h1-5,7,9H,6,8,10H2,(H,17,21)(H,18,19,20)

InChI Key

ZNIHJMWRKLZYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13871083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-2.15

Polar Surface Area

69.121

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P496-0894 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P496-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-0894?
Check Price and Availability of P496-0894, 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 P496-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-0894
  • 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 P496-0894 available by request