P572-5017 Screening compound: N-(3-fluorophenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide

P572-5017 Screening compound: N-(3-fluorophenyl)-2-{5-[(4-fluorophenyl)amino]-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamide
P572-5017 Screening compound: N-(3-fluorophenyl)-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 P572-5017
N-(3-fluorophenyl)-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

P572-5017

Molecular Formula

C20H16F2N6O2 (C20 H16 F2 N6 O2)

Compound Name

N-(3-fluorophenyl)-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-fluorophenyl)-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(Nc2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C20H16F2N6O2/c1-12-9-17-26-27(11-18(29)24-16-4-2-3-14(22)10-16)20(30)28(17)19(23-12)25-15-7-5-13(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)(H,24,29)

InChI Key

FIGVKFMOSZGJQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.38

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

3.301

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.57

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P572-5017 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)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 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
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P572-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5017?
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What is the minimum amount of P572-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-5017
  • 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 P572-5017 available by request