8011-2007 Screening compound: 5-({[1,1'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

8011-2007 Screening compound: 5-({[1,1'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
8011-2007 Screening compound: 5-({[1,1'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2007
5-({[1,1'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

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

8011-2007

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

5-({[1,1'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-({[11'-biphenyl]-4-yloxy}methyl)-4-phenyl-4H-124-triazole-3-thiol

SMILES

Sc1nnc(COc(cc2)ccc2-c2ccccc2)n1-c1ccccc1

InChI

InChI=1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)

InChI Key

YMTCAUNMUYRNKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-4.65

Polar Surface Area

31.661

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8011-2007 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8011-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2007?
Check Price and Availability of 8011-2007, 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 8011-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2007
  • 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 8011-2007 available by request