8563-0669 Screening compound: 6-butyl-2-(ethylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

8563-0669 Screening compound: 6-butyl-2-(ethylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
8563-0669 Screening compound: 6-butyl-2-(ethylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0669
6-butyl-2-(ethylsulfanyl)-5-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

8563-0669

Molecular Formula

C12H18N4OS (C12 H18 N4 OS)

Compound Name

6-butyl-2-(ethylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-butyl-2-(ethylsulfanyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCCCC1=C(C)Nc2nc(SCC)nn2C1=O

InChI

InChI=1S/C12H18N4OS/c1-4-6-7-9-8(3)13-11-14-12(18-5-2)15-16(11)10(9)17/h4-7H2,1-3H3,(H,13,14,15)

InChI Key

ZLAPZRJIFLDZAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.51

Polar Surface Area

49.245

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

8563-0669 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8563-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0669?
Check Price and Availability of 8563-0669, 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 8563-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0669
  • 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 8563-0669 available by request