0118-0080 Screening compound: 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

0118-0080 Screening compound: 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
0118-0080 Screening compound: 1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0118-0080
1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

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

0118-0080

Molecular Formula

C8H8N4OS (C8 H8 N4 OS)

Compound Name

1-(hydroxymethyl)-4-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

IUPAC name

1-(hydroxymethyl)-4-phenyl-45-dihydro-1H-1234-tetrazole-5-thione

SMILES

OCN(C1=S)N=NN1c1ccccc1

InChI

InChI=1S/C8H8N4OS/c13-6-11-8(14)12(10-9-11)7-4-2-1-3-5-7/h1-5,13H,6H2

InChI Key

BTUJSUDWUWIQPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00087656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.24

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

1.136

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-1.32

Polar Surface Area

48.031

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0118-0080 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 0118-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0118-0080?
Check Price and Availability of 0118-0080, 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 0118-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0118-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0118-0080
  • 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 0118-0080 available by request