C470-0593 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0593 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0593 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]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 C470-0593
8-{[4-(diphenylmethyl)piperazin-1-yl]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

C470-0593

Molecular Formula

C29H36N6O3 (C29 H36 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C29H36N6O3/c1-4-38-20-19-35-24(30-27-26(35)28(36)32(3)29(37)31(27)2)21-33-15-17-34(18-16-33)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,25H,4,15-21H2,1-3H3

InChI Key

RXHVZCHUIOPGFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-3.84

Polar Surface Area

58.202

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C470-0593 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

MCL1 Targeted Library (12200 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
  • Pool
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C470-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0593?
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What is the minimum amount of C470-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0593
  • 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 C470-0593 available by request