F722-0083 Screening compound: 3-(4-bromophenyl)-5-methyl-9-(2-methylpropyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

F722-0083 Screening compound: 3-(4-bromophenyl)-5-methyl-9-(2-methylpropyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
F722-0083 Screening compound: 3-(4-bromophenyl)-5-methyl-9-(2-methylpropyl)-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 F722-0083
3-(4-bromophenyl)-5-methyl-9-(2-methylpropyl)-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

F722-0083

Molecular Formula

C17H17BrN6O2 (C17 H17 BrN6 O2)

Compound Name

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

IUPAC name

3-(4-bromophenyl)-5-methyl-9-(2-methylpropyl)-5H6H7H8H9H-[124]triazolo[34-h]purine-68-dione

SMILES

CC(C)Cn1c2nnc(-c(cc3)ccc3Br)n2c(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C17H17BrN6O2/c1-9(2)8-23-12-14(25)19-17(26)22(3)15(12)24-13(20-21-16(23)24)10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3,(H,19,25,26)

InChI Key

KGASPAOPMXBXFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08933684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.00

Polar Surface Area

66.679

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

F722-0083 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F722-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F722-0083?
Check Price and Availability of F722-0083, 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 F722-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F722-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F722-0083
  • 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 F722-0083 available by request