C470-0094 Screening compound: 7-benzyl-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0094 Screening compound: 7-benzyl-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0094 Screening compound: 7-benzyl-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0094
7-benzyl-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-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

C470-0094

Molecular Formula

C24H26N6O4 (C24 H26 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(CN(CC3)CCN3C(c3ccco3)=O)n1)C2=O

InChI

InChI=1S/C24H26N6O4/c1-26-21-20(23(32)27(2)24(26)33)30(15-17-7-4-3-5-8-17)19(25-21)16-28-10-12-29(13-11-28)22(31)18-9-6-14-34-18/h3-9,14H,10-13,15-16H2,1-2H3

InChI Key

SGAORXFYSWBHFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.14

Polar Surface Area

72.448

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C470-0094 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C470-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0094?
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What is the minimum amount of C470-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0094
  • 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 C470-0094 available by request