P572-5034 Screening compound: N-(3-fluoro-4-methoxyphenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide

P572-5034 Screening compound: N-(3-fluoro-4-methoxyphenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
P572-5034 Screening compound: N-(3-fluoro-4-methoxyphenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-5034
N-(3-fluoro-4-methoxyphenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}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

P572-5034

Molecular Formula

C21H18F2N6O3 (C21 H18 F2 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(Nc(cc1)ccc1F)N12)=CC2=NN(CC(Nc(cc2)cc(F)c2OC)=O)C1=O

InChI

InChI=1S/C21H18F2N6O3/c1-12-9-18-27-28(11-19(30)25-15-7-8-17(32-2)16(23)10-15)21(31)29(18)20(24-12)26-14-5-3-13(22)4-6-14/h3-10H,11H2,1-2H3,(H,24,26)(H,25,30)

InChI Key

PXWNAQVTJLZTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.44

Polar Surface Area

81.425

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P572-5034 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P572-5034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5034?
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What is the minimum amount of P572-5034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-5034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-5034
  • 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 P572-5034 available by request