8019-6758 Screening compound: 2-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

8019-6758 Screening compound: 2-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide
8019-6758 Screening compound: 2-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6758
2-[3-(pyridin-4-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

8019-6758

Molecular Formula

C15H15N5OS (C15 H15 N5 OS)

Compound Name

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

IUPAC name

2-[3-(pyridin-4-yl)-1H-124-triazol-5-yl]-N-[2-(thiophen-2-yl)ethyl]acetamide

SMILES

O=C(Cc1nc(-c2ccncc2)n[nH]1)NCCc1cccs1

InChI

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

InChI Key

PVJGYXGXCFAAKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760882

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

1.315

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-1.76

Polar Surface Area

69.502

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8019-6758 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 8019-6758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6758?
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What is the minimum amount of 8019-6758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6758
  • 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 8019-6758 available by request