8016-6938 Screening compound: N~7~-(3-chloro-4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

8016-6938 Screening compound: N~7~-(3-chloro-4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
8016-6938 Screening compound: N~7~-(3-chloro-4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6938
N~7~-(3-chloro-4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[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

8016-6938

Molecular Formula

C12H9ClFN5O2 (C12 H9 ClFN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)n2ncnc2NC1=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C12H9ClFN5O2/c13-7-3-6(1-2-8(7)14)17-11(21)9-4-10(20)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18,20)/t9-/m0/s1

InChI Key

CPYYKCKHQBNKCF-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05858394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.029

Distribution Coefficient, logD

1.008

Water Solubility, LogSw

-2.61

Polar Surface Area

75.614

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8016-6938 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6938?
Check Price and Availability of 8016-6938, 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 8016-6938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6938
  • 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 8016-6938 available by request