C692-0435 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0435 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0435 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0435
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-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

C692-0435

Molecular Formula

C27H32N6O3 (C27 H32 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2)=O)n(CCCc3ccccc3)c(CN(CC3)CCN3c(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C27H32N6O3/c1-30-25-24(26(34)29-27(30)35)33(14-6-9-20-7-4-3-5-8-20)23(28-25)19-31-15-17-32(18-16-31)21-10-12-22(36-2)13-11-21/h3-5,7-8,10-13H,6,9,14-19H2,1-2H3,(H,29,34,35)

InChI Key

UFBWNOBZZJWKCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.00

Polar Surface Area

67.109

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C692-0435 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 C692-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0435?
Check Price and Availability of C692-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C692-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0435
  • 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 C692-0435 available by request