8561-08509 Screening compound: 2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8561-08509 Screening compound: 2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8561-08509 Screening compound: 2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08509
2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-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

8561-08509

Molecular Formula

C17H14FN5OS (C17 H14 FN5 OS)

Compound Name

2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

IUPAC name

2-[(4-fluorophenyl)amino]-8-methyl-4-(thiophen-2-yl)-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

CC(N=C1N2C(c3cccs3)N=C(Nc(cc3)ccc3F)N1)=CC2=O

InChI

InChI=1S/C17H14FN5OS/c1-10-9-14(24)23-15(13-3-2-8-25-13)21-16(22-17(23)19-10)20-12-6-4-11(18)5-7-12/h2-9,15H,1H3,(H2,19,20,21,22)/t15-/m1/s1

InChI Key

TXIYRCMSMANXJJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07469807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

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

2.810

Distribution Coefficient, logD

-0.112

Water Solubility, LogSw

-3.38

Polar Surface Area

58.489

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8561-08509 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8561-08509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08509?
Check Price and Availability of 8561-08509, 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 8561-08509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08509
  • 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 8561-08509 available by request