F722-0213 Screening compound: 5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

F722-0213 Screening compound: 5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
F722-0213 Screening compound: 5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F722-0213
5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

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

F722-0213

Molecular Formula

C28H24N6O3 (C28 H24 N6 O3)

Compound Name

5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

IUPAC name

5-methyl-9-[(3-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5H6H7H8H9H-[124]triazolo[34-h]purine-68-dione

SMILES

Cc1cccc(Cn2c3nnc(-c4ccc(COc5ccccc5)cc4)n3c(N(C)C(N3)=O)c2C3=O)c1

InChI

InChI=1S/C28H24N6O3/c1-18-7-6-8-20(15-18)16-33-23-25(35)29-28(36)32(2)26(23)34-24(30-31-27(33)34)21-13-11-19(12-14-21)17-37-22-9-4-3-5-10-22/h3-15H,16-17H2,1-2H3,(H,29,35,36)

InChI Key

GIMXQBNLTHNFPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08933815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.14

Polar Surface Area

73.635

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F722-0213 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with F722-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F722-0213?
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What is the minimum amount of F722-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F722-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F722-0213
  • 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 F722-0213 available by request