P572-8408 Screening compound: N-(3,5-difluorophenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide

P572-8408 Screening compound: N-(3,5-difluorophenyl)-2-{5-[(3,5-dimethylphenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
P572-8408 Screening compound: N-(3,5-difluorophenyl)-2-{5-[(3,5-dimethylphenyl)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 P572-8408
N-(3,5-difluorophenyl)-2-{5-[(3,5-dimethylphenyl)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

P572-8408

Molecular Formula

C22H20F2N6O2 (C22 H20 F2 N6 O2)

Compound Name

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

IUPAC name

N-(35-difluorophenyl)-2-{5-[(35-dimethylphenyl)amino]-7-methyl-3-oxo-2H3H-[124]triazolo[43-c]pyrimidin-2-yl}acetamide

SMILES

Cc1cc(NC(N23)=NC(C)=CC3=NN(CC(Nc3cc(F)cc(F)c3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C22H20F2N6O2/c1-12-4-13(2)6-17(5-12)27-21-25-14(3)7-19-28-29(22(32)30(19)21)11-20(31)26-18-9-15(23)8-16(24)10-18/h4-10H,11H2,1-3H3,(H,25,27)(H,26,31)

InChI Key

OZXQLPGQMQHQRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.22

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P572-8408 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)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P572-8408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-8408?
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What is the minimum amount of P572-8408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-8408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-8408
  • 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 P572-8408 available by request