F722-1000 Screening compound: 3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

F722-1000 Screening compound: 3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
F722-1000 Screening compound: 3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-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 F722-1000
3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-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

F722-1000

Molecular Formula

C21H16BrFN6O3 (C21 H16 BrFN6 O3)

Compound Name

3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

IUPAC name

3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5H6H7H8H9H-[124]triazolo[34-h]purine-68-dione

SMILES

CN(c1c(C(N2)=O)n(Cc(cccc3)c3F)c3nnc(-c(cc(cc4)Br)c4OC)n13)C2=O

InChI

InChI=1S/C21H16BrFN6O3/c1-27-19-16(18(30)24-21(27)31)28(10-11-5-3-4-6-14(11)23)20-26-25-17(29(19)20)13-9-12(22)7-8-15(13)32-2/h3-9H,10H2,1-2H3,(H,24,30,31)

InChI Key

JWJAGKOSEVFWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08934623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.02

Polar Surface Area

74.038

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F722-1000 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F722-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F722-1000?
Check Price and Availability of F722-1000, 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 F722-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F722-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F722-1000
  • 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 F722-1000 available by request