D718-0323 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

D718-0323 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
D718-0323 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0323
2-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

D718-0323

Molecular Formula

C17H16N4OS (C17 H16 N4 OS)

Compound Name

2-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

2-{[(4-methylphenyl)methyl]sulfanyl}-5H6H7H8H-[124]triazolo[32-b]quinazolin-8-one

SMILES

Cc1ccc(CSc2nn(cc(c(CCC3)n4)C3=O)c4n2)cc1

InChI

InChI=1S/C17H16N4OS/c1-11-5-7-12(8-6-11)10-23-17-19-16-18-14-3-2-4-15(22)13(14)9-21(16)20-17/h5-9H,2-4,10H2,1H3

InChI Key

DWMSPTLUIGBUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09437693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.61

Polar Surface Area

46.393

Acid Dissociation Constant (pKa)

20.45

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D718-0323 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0323?
Check Price and Availability of D718-0323, 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 D718-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0323
  • 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 D718-0323 available by request