8014-6646 Screening compound: 5-[4-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

8014-6646 Screening compound: 5-[4-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
8014-6646 Screening compound: 5-[4-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6646
5-[4-(dimethylamino)phenyl]-4-phenyl-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

8014-6646

Molecular Formula

C16H16N4S (C16 H16 N4 S)

Compound Name

5-[4-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

5-[4-(dimethylamino)phenyl]-4-phenyl-4H-124-triazole-3-thiol

SMILES

CN(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1S

InChI

InChI=1S/C16H16N4S/c1-19(2)13-10-8-12(9-11-13)15-17-18-16(21)20(15)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,21)

InChI Key

GKMMMSWRDCJDSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-3.45

Polar Surface Area

26.262

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8014-6646 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 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 8014-6646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6646?
Check Price and Availability of 8014-6646, 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 8014-6646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6646
  • 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 8014-6646 available by request