C470-0644 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0644 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0644 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0644
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylpropyl)-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

C470-0644

Molecular Formula

C26H31N5O2 (C26 H31 N5 O2)

Compound Name

8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(dibenzylamino)methyl]-13-dimethyl-7-(2-methylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C26H31N5O2/c1-19(2)15-31-22(27-24-23(31)25(32)29(4)26(33)28(24)3)18-30(16-20-11-7-5-8-12-20)17-21-13-9-6-10-14-21/h5-14,19H,15-18H2,1-4H3

InChI Key

FSVLFPPPGQBSFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.34

Polar Surface Area

47.392

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C470-0644 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C470-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0644?
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What is the minimum amount of C470-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0644
  • 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 C470-0644 available by request