P572-4594 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[7-METHYL-3-OXO-5-(PHENYLAMINO)-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL]ACETAMIDE

P572-4594 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[7-METHYL-3-OXO-5-(PHENYLAMINO)-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL]ACETAMIDE
P572-4594 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[7-METHYL-3-OXO-5-(PHENYLAMINO)-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-4594
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[7-METHYL-3-OXO-5-(PHENYLAMINO)-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

P572-4594

Molecular Formula

C22H20N6O4 (C22 H20 N6 O4)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[7-METHYL-3-OXO-5-(PHENYLAMINO)-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL]ACETAMIDE

IUPAC name

n/a

SMILES

CC(N=C(Nc1ccccc1)N12)=CC2=NN(CC(Nc(cc2)cc3c2OCCO3)=O)C1=O

InChI

InChI=1S/C22H20N6O4/c1-14-11-19-26-27(22(30)28(19)21(23-14)25-15-5-3-2-4-6-15)13-20(29)24-16-7-8-17-18(12-16)32-10-9-31-17/h2-8,11-12H,9-10,13H2,1H3,(H,23,25)(H,24,29)

InChI Key

ZWAUTINZWPCXGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.75

Polar Surface Area

89.618

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P572-4594 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P572-4594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-4594?
Check Price and Availability of P572-4594, 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 P572-4594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-4594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-4594
  • 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 P572-4594 available by request