C470-0371 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0371 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0371 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0371
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-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

C470-0371

Molecular Formula

C25H30N6O2 (C25 H30 N6 O2)

Compound Name

8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-ethylpiperazin-1-yl)methyl]-13-dimethyl-7-[(naphthalen-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc2cccc3ccccc23)CC1

InChI

InChI=1S/C25H30N6O2/c1-4-29-12-14-30(15-13-29)17-21-26-23-22(24(32)28(3)25(33)27(23)2)31(21)16-19-10-7-9-18-8-5-6-11-20(18)19/h5-11H,4,12-17H2,1-3H3

InChI Key

IHOHBVUZFGXZDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-3.11

Polar Surface Area

50.678

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C470-0371 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C470-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C470-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0371
  • 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 C470-0371 available by request