D718-0410 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

D718-0410 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
D718-0410 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0410
2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

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

D718-0410

Molecular Formula

C21H19N5O4S (C21 H19 N5 O4 S)

Compound Name

2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

2-(benzylsulfanyl)-N-(23-dihydro-14-benzodioxin-6-yl)-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

O=C(C(CC(Nc1n2)=O)n1nc2SCc1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H19N5O4S/c27-18-11-15(19(28)22-14-6-7-16-17(10-14)30-9-8-29-16)26-20(23-18)24-21(25-26)31-12-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,28)(H,23,24,25,27)/t15-/m0/s1

InChI Key

CUIYHEOYGPFANR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08088725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.458

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-2.36

Polar Surface Area

88.947

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D718-0410 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D718-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0410?
Check Price and Availability of D718-0410, 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 D718-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0410
  • 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 D718-0410 available by request