8017-9513 Screening compound: 8-(2-hydroxyphenyl)-1,3-dimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8017-9513 Screening compound: 8-(2-hydroxyphenyl)-1,3-dimethyl-7-(4-methylphenyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8017-9513 Screening compound: 8-(2-hydroxyphenyl)-1,3-dimethyl-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 8017-9513
8-(2-hydroxyphenyl)-1,3-dimethyl-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

8017-9513

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1-c(cccc2)c2O)cn2c1nc(N(C)C(N1C)=O)c2C1=O

InChI

InChI=1S/C22H19N5O3/c1-13-8-10-14(11-9-13)16-12-26-18-19(24(2)22(30)25(3)20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)28/h4-12,28H,1-3H3

InChI Key

PLYYPFVRJJRULE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04192201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

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

3.902

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.49

Polar Surface Area

59.590

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8017-9513 in Drug Discovery

Included in Screening Libraries

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

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 8017-9513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9513?
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What is the minimum amount of 8017-9513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9513
  • 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 8017-9513 available by request