8016-6237 Screening compound: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8016-6237 Screening compound: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8016-6237 Screening compound: 4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6237
4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8016-6237

Molecular Formula

C18H12N4O2S (C18 H12 N4 O2 S)

Compound Name

4-(1,3-benzodioxol-5-yl)-5-(2-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-(2H-13-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c2nc3ccccc3cc2)n1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)

InChI Key

GPVXFBBLIMUJAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04166026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-3.68

Polar Surface Area

48.904

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

8016-6237 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-6237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6237?
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What is the minimum amount of 8016-6237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6237
  • 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 8016-6237 available by request