D718-0594 Screening compound: 2-(benzylsulfanyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D718-0594 Screening compound: 2-(benzylsulfanyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D718-0594 Screening compound: 2-(benzylsulfanyl)-5-[(pyrimidin-2-ylsulfanyl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0594
2-(benzylsulfanyl)-5-[(pyrimidin-2-ylsulfanyl)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

D718-0594

Molecular Formula

C17H14N6OS2 (C17 H14 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C=C(CSc1ncccn1)Nc1n2)n1nc2SCc1ccccc1

InChI

InChI=1S/C17H14N6OS2/c24-14-9-13(11-26-16-18-7-4-8-19-16)20-15-21-17(22-23(14)15)25-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21,22)

InChI Key

AUYSIYZKIDDVHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08719159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

1.652

Water Solubility, LogSw

-2.80

Polar Surface Area

67.948

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D718-0594 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D718-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0594?
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What is the minimum amount of D718-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0594
  • 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 D718-0594 available by request