8019-4215 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

8019-4215 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
8019-4215 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4215
5-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-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

8019-4215

Molecular Formula

C15H10FN3O2S (C15 H10 FN3 O2 S)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

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

SMILES

Fc(cc1)ccc1-n1c(S)nnc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C15H10FN3O2S/c16-10-2-4-11(5-3-10)19-14(17-18-15(19)22)9-1-6-12-13(7-9)21-8-20-12/h1-7H,8H2,(H,18,22)

InChI Key

OLUNKXGCLBZVIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08748208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-3.29

Polar Surface Area

40.573

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8019-4215 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4215?
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What is the minimum amount of 8019-4215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4215
  • 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 8019-4215 available by request