D052-9000 Screening compound: 6-methyl-3-(4-methylphenyl)-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

D052-9000 Screening compound: 6-methyl-3-(4-methylphenyl)-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
D052-9000 Screening compound: 6-methyl-3-(4-methylphenyl)-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D052-9000
6-methyl-3-(4-methylphenyl)-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

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

D052-9000

Molecular Formula

C13H11N5O2 (C13 H11 N5 O2)

Compound Name

6-methyl-3-(4-methylphenyl)-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

IUPAC name

6-methyl-3-(4-methylphenyl)-5H6H7H8H-pyrimido[54-e][124]triazine-57-dione

SMILES

Cc(cc1)ccc1-c1nc(C(N(C)C(N2)=O)=O)c2nn1

InChI

InChI=1S/C13H11N5O2/c1-7-3-5-8(6-4-7)10-14-9-11(17-16-10)15-13(20)18(2)12(9)19/h3-6H,1-2H3,(H,15,17,20)

InChI Key

PXYDTOXNXVDRLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07188897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-2.13

Polar Surface Area

73.381

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D052-9000 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Arginase Targeted Library (2009 compounds)

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D052-9000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D052-9000?
Check Price and Availability of D052-9000, 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 D052-9000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D052-9000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D052-9000
  • 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 D052-9000 available by request