8017-9057 Screening compound: 8-(4-hydroxyphenyl)-1,3,6-trimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8017-9057 Screening compound: 8-(4-hydroxyphenyl)-1,3,6-trimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8017-9057 Screening compound: 8-(4-hydroxyphenyl)-1,3,6-trimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9057
8-(4-hydroxyphenyl)-1,3,6-trimethyl-7-(4-methylphenyl)-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

8017-9057

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

8-(4-hydroxyphenyl)-1,3,6-trimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

8-(4-hydroxyphenyl)-136-trimethyl-7-(4-methylphenyl)-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

Cc(n1c2nc(N(C)C(N3C)=O)c1C3=O)c(-c1ccc(C)cc1)n2-c(cc1)ccc1O

InChI

InChI=1S/C23H21N5O3/c1-13-5-7-15(8-6-13)18-14(2)27-19-20(25(3)23(31)26(4)21(19)30)24-22(27)28(18)16-9-11-17(29)12-10-16/h5-12,29H,1-4H3

InChI Key

UTEDSUKNAHGHIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.13

Polar Surface Area

62.231

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8017-9057 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8017-9057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9057?
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What is the minimum amount of 8017-9057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9057
  • 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 8017-9057 available by request