P572-4761 Screening compound: N-methyl-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-phenylacetamide

P572-4761 Screening compound: N-methyl-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-phenylacetamide
P572-4761 Screening compound: N-methyl-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-4761
N-methyl-2-{7-methyl-5-[(2-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}-N-phenylacetamide

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

P572-4761

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(N12)=NC(C)=CC2=NN(CC(N(C)c2ccccc2)=O)C1=O

InChI

InChI=1S/C22H22N6O2/c1-15-9-7-8-12-18(15)24-21-23-16(2)13-19-25-27(22(30)28(19)21)14-20(29)26(3)17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,23,24)

InChI Key

WOIGYLCMHYRGFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-2.69

Polar Surface Area

65.061

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P572-4761 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)

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 P572-4761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-4761?
Check Price and Availability of P572-4761, 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 P572-4761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-4761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-4761
  • 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 P572-4761 available by request