8019-4226 Screening compound: 6-butyl-8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8019-4226 Screening compound: 6-butyl-8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8019-4226 Screening compound: 6-butyl-8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4226
6-butyl-8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-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

8019-4226

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

6-butyl-8-(4-hydroxyphenyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

6-butyl-8-(4-hydroxyphenyl)-13-dimethyl-7-phenyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CCCCc(n1c2nc(N(C)C(N3C)=O)c1C3=O)c(-c1ccccc1)n2-c(cc1)ccc1O

InChI

InChI=1S/C25H25N5O3/c1-4-5-11-19-20(16-9-7-6-8-10-16)29(17-12-14-18(31)15-13-17)24-26-22-21(30(19)24)23(32)28(3)25(33)27(22)2/h6-10,12-15,31H,4-5,11H2,1-3H3

InChI Key

WPSQUNZRWRDVBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.43

Polar Surface Area

62.592

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8019-4226 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-4226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4226?
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What is the minimum amount of 8019-4226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4226
  • 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 8019-4226 available by request