P572-5048 Screening compound: 2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide

P572-5048 Screening compound: 2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide
P572-5048 Screening compound: 2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-5048
2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide

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

P572-5048

Molecular Formula

C22H21FN6O2 (C22 H21 FN6 O2)

Compound Name

2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H3H-[124]triazolo[43-c]pyrimidin-2-yl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN(C2=O)N=C3N2C(Nc(cc2)ccc2F)=NC(C)=C3)=O)cc1

InChI

InChI=1S/C22H21FN6O2/c1-14-3-5-16(6-4-14)12-24-20(30)13-28-22(31)29-19(27-28)11-15(2)25-21(29)26-18-9-7-17(23)8-10-18/h3-11H,12-13H2,1-2H3,(H,24,30)(H,25,26)

InChI Key

ROZMWNOFSHFJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.32

Polar Surface Area

75.117

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P572-5048 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P572-5048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5048?
Check Price and Availability of P572-5048, 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 P572-5048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-5048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-5048
  • 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 P572-5048 available by request