C470-0573 Screening compound: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0573 Screening compound: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0573 Screening compound: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0573
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-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

C470-0573

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C26H31N5O3/c1-4-34-16-15-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3

InChI Key

JQZRFLBCVGXGAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04034069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.770

Water Solubility, LogSw

-3.84

Polar Surface Area

55.348

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C470-0573 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 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 C470-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0573?
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What is the minimum amount of C470-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0573
  • 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 C470-0573 available by request