G856-6159 Screening compound: 3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

G856-6159 Screening compound: 3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
G856-6159 Screening compound: 3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6159
3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-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

G856-6159

Molecular Formula

C10H13N5S2 (C10 H13 N5 S2)

Compound Name

3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-45-dihydro-1H-124-triazole-5-thione

SMILES

Cc1nc(SCC(N2C)=NNC2=S)nc(C)c1

InChI

InChI=1S/C10H13N5S2/c1-6-4-7(2)12-9(11-6)17-5-8-13-14-10(16)15(8)3/h4H,5H2,1-3H3,(H,14,16)

InChI Key

VJBYYOULDRUOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04065538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.607

Distribution Coefficient, logD

1.277

Water Solubility, LogSw

-1.80

Polar Surface Area

44.384

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G856-6159 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6159?
Check Price and Availability of G856-6159, 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 G856-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6159
  • 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 G856-6159 available by request