C470-0325 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0325 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0325 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-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 C470-0325
1,3-dimethyl-7-[(4-methylphenyl)methyl]-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

C470-0325

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(N(C)C(N3C)=O)=O)c3nc2CN(CC2)CCN2c2ccccc2)cc1

InChI

InChI=1S/C26H30N6O2/c1-19-9-11-20(12-10-19)17-32-22(27-24-23(32)25(33)29(3)26(34)28(24)2)18-30-13-15-31(16-14-30)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3

InChI Key

GMVUMBGIYUUGGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-3.76

Polar Surface Area

50.673

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C470-0325 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C470-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0325?
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What is the minimum amount of C470-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0325
  • 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 C470-0325 available by request