8016-7925 Screening compound: 4-amino-5-[(2-pyridylmethyl)sulfanyl]-4H-1,2,4-triazol-3-ylhydrosulfide

8016-7925 Screening compound: 4-amino-5-[(2-pyridylmethyl)sulfanyl]-4H-1,2,4-triazol-3-ylhydrosulfide
8016-7925 Screening compound: 4-amino-5-[(2-pyridylmethyl)sulfanyl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7925
4-amino-5-[(2-pyridylmethyl)sulfanyl]-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

8016-7925

Molecular Formula

C8H9N5S2 (C8 H9 N5 S2)

Compound Name

4-amino-5-[(2-pyridylmethyl)sulfanyl]-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-amino-5-{[(pyridin-2-yl)methyl]sulfanyl}-4H-124-triazole-3-thiol

SMILES

Nn1c(SCc2ncccc2)nnc1S

InChI

InChI=1S/C8H9N5S2/c9-13-7(14)11-12-8(13)15-5-6-3-1-2-4-10-6/h1-4H,5,9H2,(H,11,14)

InChI Key

JYCBLQFAVXKOSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.376

Distribution Coefficient, logD

0.085

Water Solubility, LogSw

-1.04

Polar Surface Area

51.010

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-7925 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 8016-7925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7925?
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What is the minimum amount of 8016-7925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7925
  • 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 8016-7925 available by request