8010-2832 Screening compound: 5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

8010-2832 Screening compound: 5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
8010-2832 Screening compound: 5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2832
5-(adamantan-1-yl)-4-methyl-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

8010-2832

Molecular Formula

C13H19N3S (C13 H19 N3 S)

Compound Name

5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(adamantan-1-yl)-4-methyl-4H-124-triazole-3-thiol

SMILES

Cn1c(S)nnc1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C13H19N3S/c1-16-11(14-15-12(16)17)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-10H,2-7H2,1H3,(H,15,17)

InChI Key

ANNIHKXRSJJMHU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.09

Polar Surface Area

23.829

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.60

8010-2832 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-2832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2832?
Check Price and Availability of 8010-2832, 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 8010-2832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2832
  • 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 8010-2832 available by request