C470-0561 Screening compound: 7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0561 Screening compound: 7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0561 Screening compound: 7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0561
7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)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

C470-0561

Molecular Formula

C21H28N6O3 (C21 H28 N6 O3)

Compound Name

7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(2-methoxyethyl)-13-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCOC)c(CN(CC3)CCN3c3ccccc3)n1)C2=O

InChI

InChI=1S/C21H28N6O3/c1-23-19-18(20(28)24(2)21(23)29)27(13-14-30-3)17(22-19)15-25-9-11-26(12-10-25)16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3

InChI Key

ORUUPFTXKQCOPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04024267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.09

Polar Surface Area

59.266

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C470-0561 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C470-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0561?
Check Price and Availability of C470-0561, 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 C470-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0561
  • 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 C470-0561 available by request