8011-6770 Screening compound: 5-(2-furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

8011-6770 Screening compound: 5-(2-furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
8011-6770 Screening compound: 5-(2-furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6770
5-(2-furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

8011-6770

Molecular Formula

C13H11N3O2S (C13 H11 N3 O2 S)

Compound Name

5-(2-furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

IUPAC name

3-(furan-2-yl)-4-(4-methoxyphenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

COc(cc1)ccc1N(C(c1ccco1)=NN1)C1=S

InChI

InChI=1S/C13H11N3O2S/c1-17-10-6-4-9(5-7-10)16-12(14-15-13(16)19)11-3-2-8-18-11/h2-8H,1H3,(H,15,19)

InChI Key

IUUXUQJNQPJBCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01312802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.89

Polar Surface Area

43.095

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8011-6770 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8011-6770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6770?
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What is the minimum amount of 8011-6770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6770
  • 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 8011-6770 available by request