8020-0426 Screening compound: N-[(furan-2-yl)methyl]-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide

8020-0426 Screening compound: N-[(furan-2-yl)methyl]-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide
8020-0426 Screening compound: N-[(furan-2-yl)methyl]-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0426
N-[(furan-2-yl)methyl]-2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]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

8020-0426

Molecular Formula

C14H13N5O2 (C14 H13 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1n[nH]c(-c2cnccc2)n1)NCc1ccco1

InChI

InChI=1S/C14H13N5O2/c20-13(16-9-11-4-2-6-21-11)7-12-17-14(19-18-12)10-3-1-5-15-8-10/h1-6,8H,7,9H2,(H,16,20)(H,17,18,19)

InChI Key

CBNRQBYJYHOTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11081324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

0.847

Water Solubility, LogSw

-0.96

Polar Surface Area

76.480

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8020-0426 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0426?
Check Price and Availability of 8020-0426, 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 8020-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0426
  • 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 8020-0426 available by request