8563-0676 Screening compound: 2-(benzylsulfanyl)-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

8563-0676 Screening compound: 2-(benzylsulfanyl)-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
8563-0676 Screening compound: 2-(benzylsulfanyl)-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0676
2-(benzylsulfanyl)-5-(propan-2-yl)-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

8563-0676

Molecular Formula

C15H16N4OS (C15 H16 N4 OS)

Compound Name

2-(benzylsulfanyl)-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-(benzylsulfanyl)-5-(propan-2-yl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(C)C(Nc1nc(SCc2ccccc2)nn11)=CC1=O

InChI

InChI=1S/C15H16N4OS/c1-10(2)12-8-13(20)19-14(16-12)17-15(18-19)21-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17,18)

InChI Key

VJUXMPYWOOFFRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07639551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-3.44

Polar Surface Area

49.957

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8563-0676 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0676?
Check Price and Availability of 8563-0676, 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 8563-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0676
  • 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 8563-0676 available by request