8561-08507 Screening compound: 8-methyl-4-phenyl-2-(phenylamino)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8561-08507 Screening compound: 8-methyl-4-phenyl-2-(phenylamino)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8561-08507 Screening compound: 8-methyl-4-phenyl-2-(phenylamino)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08507
8-methyl-4-phenyl-2-(phenylamino)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-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

8561-08507

Molecular Formula

C19H17N5O (C19 H17 N5 O)

Compound Name

8-methyl-4-phenyl-2-(phenylamino)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

IUPAC name

8-methyl-4-phenyl-2-(phenylamino)-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

CC(N=C1N2C(c3ccccc3)N=C(Nc3ccccc3)N1)=CC2=O

InChI

InChI=1S/C19H17N5O/c1-13-12-16(25)24-17(14-8-4-2-5-9-14)22-18(23-19(24)20-13)21-15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23)/t17-/m1/s1

InChI Key

BQSRJWKQNMOFTF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD07469800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

0.929

Water Solubility, LogSw

-3.36

Polar Surface Area

57.471

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

8561-08507 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with 8561-08507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08507?
Check Price and Availability of 8561-08507, 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 8561-08507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08507
  • 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 8561-08507 available by request