8528-0422 Screening compound: 8-(2-aminophenyl)-7-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8528-0422 Screening compound: 8-(2-aminophenyl)-7-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8528-0422 Screening compound: 8-(2-aminophenyl)-7-(4-chlorophenyl)-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 8528-0422
8-(2-aminophenyl)-7-(4-chlorophenyl)-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

8528-0422

Molecular Formula

C21H17ClN6O2 (C21 H17 ClN6 O2)

Compound Name

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

IUPAC name

8-(2-aminophenyl)-7-(4-chlorophenyl)-13-dimethyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(cc(-c(cc3)ccc3Cl)n3-c(cccc4)c4N)c3n1)C2=O

InChI

InChI=1S/C21H17ClN6O2/c1-25-18-17(19(29)26(2)21(25)30)27-11-16(12-7-9-13(22)10-8-12)28(20(27)24-18)15-6-4-3-5-14(15)23/h3-11H,23H2,1-2H3

InChI Key

RPYAQTIXIGPFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05685799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.662

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-4.13

Polar Surface Area

63.138

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8528-0422 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8528-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8528-0422?
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What is the minimum amount of 8528-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8528-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8528-0422
  • 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 8528-0422 available by request