P573-7584 Screening compound: 3-({5-methyl-7-[(4-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}methyl)benzonitrile

P573-7584 Screening compound: 3-({5-methyl-7-[(4-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}methyl)benzonitrile
P573-7584 Screening compound: 3-({5-methyl-7-[(4-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P573-7584
3-({5-methyl-7-[(4-methylphenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}methyl)benzonitrile

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

P573-7584

Molecular Formula

C21H18N6O (C21 H18 N6 O)

Compound Name

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

IUPAC name

3-({5-methyl-7-[(4-methylphenyl)amino]-3-oxo-2H3H-[124]triazolo[43-a]pyrimidin-2-yl}methyl)benzonitrile

SMILES

Cc(cc1)ccc1NC(C=C(C)N12)=NC1=NN(Cc1cc(C#N)ccc1)C2=O

InChI

InChI=1S/C21H18N6O/c1-14-6-8-18(9-7-14)23-19-10-15(2)27-20(24-19)25-26(21(27)28)13-17-5-3-4-16(11-17)12-22/h3-11H,13H2,1-2H3,(H,23,24,25)

InChI Key

FFOSFMHRMCYURD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.61

Polar Surface Area

68.566

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P573-7584 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P573-7584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P573-7584?
Check Price and Availability of P573-7584, 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 P573-7584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P573-7584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P573-7584
  • 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 P573-7584 available by request