C692-0237 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0237 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0237 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0237
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)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

C692-0237

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(NC(N3C)=O)=O)c3nc2CN(CC2)CCN2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C26H30N6O3/c1-18-4-6-19(7-5-18)16-32-22(27-24-23(32)25(33)28-26(34)29(24)2)17-30-12-14-31(15-13-30)20-8-10-21(35-3)11-9-20/h4-11H,12-17H2,1-3H3,(H,28,33,34)

InChI Key

QTFJECQGGXDWPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.49

Polar Surface Area

67.131

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C692-0237 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C692-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0237?
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What is the minimum amount of C692-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0237
  • 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 C692-0237 available by request