8011-9910 Screening compound: 5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

8011-9910 Screening compound: 5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
8011-9910 Screening compound: 5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9910
5-(3,5-dimethoxyphenyl)-4-ethyl-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

8011-9910

Molecular Formula

C12H15N3O2S (C12 H15 N3 O2 S)

Compound Name

5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(35-dimethoxyphenyl)-4-ethyl-4H-124-triazole-3-thiol

SMILES

CCn1c(S)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-9(16-2)7-10(6-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)

InChI Key

DQRBFWVICTYVIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-2.14

Polar Surface Area

37.798

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8011-9910 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-9910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9910?
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What is the minimum amount of 8011-9910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9910
  • 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 8011-9910 available by request