D718-0411 Screening compound: 2-(benzylsulfanyl)-N-(3-fluorophenyl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

D718-0411 Screening compound: 2-(benzylsulfanyl)-N-(3-fluorophenyl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
D718-0411 Screening compound: 2-(benzylsulfanyl)-N-(3-fluorophenyl)-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 D718-0411
2-(benzylsulfanyl)-N-(3-fluorophenyl)-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

D718-0411

Molecular Formula

C19H16FN5O2S (C19 H16 FN5 O2 S)

Compound Name

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

IUPAC name

2-(benzylsulfanyl)-N-(3-fluorophenyl)-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

O=C(C(CC(Nc1n2)=O)n1nc2SCc1ccccc1)Nc1cc(F)ccc1

InChI

InChI=1S/C19H16FN5O2S/c20-13-7-4-8-14(9-13)21-17(27)15-10-16(26)22-18-23-19(24-25(15)18)28-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,21,27)(H,22,23,24,26)/t15-/m0/s1

InChI Key

KRIAYHPCNAOSLO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08088726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.12

Polar Surface Area

73.124

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D718-0411 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D718-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0411?
Check Price and Availability of D718-0411, 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 D718-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0411
  • 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 D718-0411 available by request