C301-7444 Screening compound: 5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C301-7444 Screening compound: 5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
C301-7444 Screening compound: 5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7444
5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

C301-7444

Molecular Formula

C11H8N4O (C11 H8 N4 O)

Compound Name

5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

O=C1n2ncnc2NC(c2ccccc2)=C1

InChI

InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-7H,(H,12,13,14)

InChI Key

KUHLBQOXSMEIHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

-0.455

Water Solubility, LogSw

-1.86

Polar Surface Area

52.176

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C301-7444 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with C301-7444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7444?
Check Price and Availability of C301-7444, 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 C301-7444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7444
  • 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 C301-7444 available by request