F722-0991 Screening compound: 3-(5-bromo-2-methoxyphenyl)-5-methyl-9-(3-methylbutyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

F722-0991 Screening compound: 3-(5-bromo-2-methoxyphenyl)-5-methyl-9-(3-methylbutyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
F722-0991 Screening compound: 3-(5-bromo-2-methoxyphenyl)-5-methyl-9-(3-methylbutyl)-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 F722-0991
3-(5-bromo-2-methoxyphenyl)-5-methyl-9-(3-methylbutyl)-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

F722-0991

Molecular Formula

C19H21BrN6O3 (C19 H21 BrN6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCn1c2nnc(-c(cc(cc3)Br)c3OC)n2c(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C19H21BrN6O3/c1-10(2)7-8-25-14-16(27)21-19(28)24(3)17(14)26-15(22-23-18(25)26)12-9-11(20)5-6-13(12)29-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,27,28)

InChI Key

HSPSEUQGUDLBJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08934614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.95

Polar Surface Area

74.288

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F722-0991 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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

References: we are preparing a list of scientific research reports with F722-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F722-0991?
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What is the minimum amount of F722-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F722-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F722-0991
  • 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 F722-0991 available by request