P572-5073 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

P572-5073 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
P572-5073 Screening compound: 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-5073
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-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

P572-5073

Molecular Formula

C22H19FN6O2 (C22 H19 FN6 O2)

Compound Name

2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

IUPAC name

2-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-[(4-fluorophenyl)amino]-7-methyl-2H3H-[124]triazolo[43-c]pyrimidin-3-one

SMILES

CC(N=C(Nc(cc1)ccc1F)N12)=CC2=NN(CC(N(CC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C22H19FN6O2/c1-14-12-19-26-28(13-20(30)27-11-10-15-4-2-3-5-18(15)27)22(31)29(19)21(24-14)25-17-8-6-16(23)7-9-17/h2-9,12H,10-11,13H2,1H3,(H,24,25)

InChI Key

WWBBGARRCYDBIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.42

Polar Surface Area

66.068

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P572-5073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 P572-5073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5073?
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What is the minimum amount of P572-5073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-5073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-5073
  • 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 P572-5073 available by request