C470-0521 Screening compound: 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

C470-0521 Screening compound: 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
C470-0521 Screening compound: 2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0521
2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

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

C470-0521

Molecular Formula

C27H31N7O3 (C27 H31 N7 O3)

Compound Name

2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

IUPAC name

2-(8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(N)=O)c(CN(CC3)CCN3C(c3ccccc3)c3ccccc3)n1)C2=O

InChI

InChI=1S/C27H31N7O3/c1-30-25-24(26(36)31(2)27(30)37)34(17-21(28)35)22(29-25)18-32-13-15-33(16-14-32)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,23H,13-18H2,1-2H3,(H2,28,35)

InChI Key

RNVCWFGGIKYWHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.52

Polar Surface Area

83.634

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C470-0521 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C470-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0521?
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What is the minimum amount of C470-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0521
  • 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 C470-0521 available by request