D718-0302 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D718-0302 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D718-0302 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0302
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-propyl-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

D718-0302

Molecular Formula

C15H15ClN4OS (C15 H15 ClN4 OS)

Compound Name

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

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-propyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCCC(Nc1nc(SCc(cc2)ccc2Cl)nn11)=CC1=O

InChI

InChI=1S/C15H15ClN4OS/c1-2-3-12-8-13(21)20-14(17-12)18-15(19-20)22-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H,17,18,19)

InChI Key

ZELJWVSPZRCKIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07639537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.83

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

3.695

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-4.24

Polar Surface Area

50.063

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D718-0302 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 D718-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0302?
Check Price and Availability of D718-0302, 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 D718-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0302
  • 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 D718-0302 available by request