8528-0411 Screening compound: 7-(4-chlorophenyl)-8-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8528-0411 Screening compound: 7-(4-chlorophenyl)-8-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8528-0411 Screening compound: 7-(4-chlorophenyl)-8-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8528-0411
7-(4-chlorophenyl)-8-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-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

8528-0411

Molecular Formula

C21H15ClFN5O2 (C21 H15 ClFN5 O2)

Compound Name

7-(4-chlorophenyl)-8-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

7-(4-chlorophenyl)-8-(4-fluorophenyl)-13-dimethyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(cc(-c(cc3)ccc3Cl)n3-c(cc4)ccc4F)c3n1)C2=O

InChI

InChI=1S/C21H15ClFN5O2/c1-25-18-17(19(29)26(2)21(25)30)27-11-16(12-3-5-13(22)6-4-12)28(20(27)24-18)15-9-7-14(23)8-10-15/h3-11H,1-2H3

InChI Key

QLWAONOWFLEEAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04156872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.54

Polar Surface Area

43.342

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8528-0411 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8528-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8528-0411?
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What is the minimum amount of 8528-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8528-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8528-0411
  • 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 8528-0411 available by request