C692-0500 Screening compound: 7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0500 Screening compound: 7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0500 Screening compound: 7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0500
7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

C692-0500

Molecular Formula

C21H28N6O4 (C21 H28 N6 O4)

Compound Name

7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CCCO)c(CN(CC3)CCN3c(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C21H28N6O4/c1-24-19-18(20(29)23-21(24)30)27(8-3-13-28)17(22-19)14-25-9-11-26(12-10-25)15-4-6-16(31-2)7-5-15/h4-7,28H,3,8-14H2,1-2H3,(H,23,29,30)

InChI Key

KCSQATBGGRQEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-2.00

Polar Surface Area

84.037

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C692-0500 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C692-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0500?
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What is the minimum amount of C692-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0500
  • 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 C692-0500 available by request