6456-0640 Screening compound: 5-{[(4-methylphenyl)sulfanyl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6456-0640 Screening compound: 5-{[(4-methylphenyl)sulfanyl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
6456-0640 Screening compound: 5-{[(4-methylphenyl)sulfanyl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0640
5-{[(4-methylphenyl)sulfanyl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

6456-0640

Molecular Formula

C13H12N4OS (C13 H12 N4 OS)

Compound Name

5-{[(4-methylphenyl)sulfanyl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-{[(4-methylphenyl)sulfanyl]methyl}-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc(cc1)ccc1SCC(Nc1ncnn11)=CC1=O

InChI

InChI=1S/C13H12N4OS/c1-9-2-4-11(5-3-9)19-7-10-6-12(18)17-13(16-10)14-8-15-17/h2-6,8H,7H2,1H3,(H,14,15,16)

InChI Key

KZLDPZYMEJCERP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-2.71

Polar Surface Area

52.281

Acid Dissociation Constant (pKa)

6.05

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6456-0640 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Fragments Library (11262 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6456-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0640?
Check Price and Availability of 6456-0640, 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 6456-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0640
  • 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 6456-0640 available by request