8010-5109 Screening compound: 1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol

8010-5109 Screening compound: 1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol
8010-5109 Screening compound: 1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5109
1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol

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

8010-5109

Molecular Formula

C18H16N6O2S2 (C18 H16 N6 O2 S2)

Compound Name

1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol

IUPAC name

12-bis(4-phenyl-5-sulfanyl-4H-124-triazol-3-yl)ethane-12-diol

SMILES

OC(C(c(n1-c2ccccc2)nnc1S)O)c(n1-c2ccccc2)nnc1S

InChI

InChI=1S/C18H16N6O2S2/c25-13(15-19-21-17(27)23(15)11-7-3-1-4-8-11)14(26)16-20-22-18(28)24(16)12-9-5-2-6-10-12/h1-10,13-14,25-26H,(H,21,27)(H,22,28)

InChI Key

OATVNTYLJYTGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01629901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.866

Distribution Coefficient, logD

-0.892

Water Solubility, LogSw

-0.77

Polar Surface Area

78.318

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

11.10

8010-5109 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-5109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5109?
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What is the minimum amount of 8010-5109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5109
  • 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 8010-5109 available by request