C470-0568 Screening compound: 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0568 Screening compound: 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0568 Screening compound: 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0568
7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-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

C470-0568

Molecular Formula

C22H30N6O4 (C22 H30 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(CCOC)c(CN(CC3)CCN3c(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C22H30N6O4/c1-24-20-19(21(29)25(2)22(24)30)28(13-14-31-3)18(23-20)15-26-9-11-27(12-10-26)16-5-7-17(32-4)8-6-16/h5-8H,9-15H2,1-4H3

InChI Key

VHZQBVVTJRRHBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.37

Polar Surface Area

66.810

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C470-0568 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C470-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C470-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0568
  • 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 C470-0568 available by request