8563-0847 Screening compound: N-(3-chloro-4-methylphenyl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

8563-0847 Screening compound: N-(3-chloro-4-methylphenyl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
8563-0847 Screening compound: N-(3-chloro-4-methylphenyl)-2-methyl-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 8563-0847
N-(3-chloro-4-methylphenyl)-2-methyl-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

8563-0847

Molecular Formula

C14H14ClN5O2 (C14 H14 ClN5 O2)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-2-methyl-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

Cc1nn(C(CC(N2)=O)C(Nc3cc(Cl)c(C)cc3)=O)c2n1

InChI

InChI=1S/C14H14ClN5O2/c1-7-3-4-9(5-10(7)15)17-13(22)11-6-12(21)18-14-16-8(2)19-20(11)14/h3-5,11H,6H2,1-2H3,(H,17,22)(H,16,18,19,21)/t11-/m0/s1

InChI Key

TXMQJKAHXPINMQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD08088653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.75

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

1.864

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-2.85

Polar Surface Area

74.286

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8563-0847 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8563-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0847?
Check Price and Availability of 8563-0847, 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 8563-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0847
  • 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 8563-0847 available by request