8013-2296 Screening compound: 5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

8013-2296 Screening compound: 5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
8013-2296 Screening compound: 5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2296
5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

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

8013-2296

Molecular Formula

C16H13N5OS2 (C16 H13 N5 OS2)

Compound Name

5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

IUPAC name

5-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-213-benzoxadiazole

SMILES

C=CCn1c(SCc2cc3nonc3cc2)nnc1-c1cccs1

InChI

InChI=1S/C16H13N5OS2/c1-2-7-21-15(14-4-3-8-23-14)17-18-16(21)24-10-11-5-6-12-13(9-11)20-22-19-12/h2-6,8-9H,1,7,10H2

InChI Key

HRZNSLDMHKJFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.39

Polar Surface Area

60.557

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-2296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2296?
Check Price and Availability of 8013-2296, 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 8013-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2296
  • 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 8013-2296 available by request