J043-0003 Screening compound: 7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

J043-0003 Screening compound: 7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
J043-0003 Screening compound: 7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J043-0003
7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

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

J043-0003

Molecular Formula

C12H9ClN4O2 (C12 H9 ClN4 O2)

Compound Name

7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

IUPAC name

7-(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

OC(C1=CC(c(cc2)ccc2Cl)n2ncnc2N1)=O

InChI

InChI=1S/C12H9ClN4O2/c13-8-3-1-7(2-4-8)10-5-9(11(18)19)16-12-14-6-15-17(10)12/h1-6,10H,(H,18,19)(H,14,15,16)/t10-/m0/s1

InChI Key

AEPBKVYSXOTJJL-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09463002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

-1.791

Water Solubility, LogSw

-2.88

Polar Surface Area

67.280

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

J043-0003 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with J043-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J043-0003?
Check Price and Availability of J043-0003, 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 J043-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J043-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J043-0003
  • 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 J043-0003 available by request