8010-9030 Screening compound: 5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol

8010-9030 Screening compound: 5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
8010-9030 Screening compound: 5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9030
5-[(3,4-dichlorophenoxy)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

8010-9030

Molecular Formula

C15H11Cl2N3OS (C15 H11 Cl2 N3 OS)

Compound Name

5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-[(34-dichlorophenoxy)methyl]-4-phenyl-4H-124-triazole-3-thiol

SMILES

Sc1nnc(COc(cc2)cc(Cl)c2Cl)n1-c1ccccc1

InChI

InChI=1S/C15H11Cl2N3OS/c16-12-7-6-11(8-13(12)17)21-9-14-18-19-15(22)20(14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)

InChI Key

ZHSPTKKOHKPZDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-4.23

Polar Surface Area

31.933

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8010-9030 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-9030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9030?
Check Price and Availability of 8010-9030, 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 8010-9030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9030
  • 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 8010-9030 available by request