C561-3256 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C561-3256 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C561-3256 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3256
9-(2H-1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

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

C561-3256

Molecular Formula

C23H21N5O6 (C23 H21 N5 O6)

Compound Name

9-(2H-1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(2H-13-benzodioxol-5-yl)-2-(23-dimethoxyphenyl)-7-ethyl-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

CCN(c1c(N2c(cc3)cc4c3OCO4)nc(-c(cccc3OC)c3OC)nc1C(N)=O)C2=O

InChI

InChI=1S/C23H21N5O6/c1-4-27-18-17(20(24)29)25-21(13-6-5-7-15(31-2)19(13)32-3)26-22(18)28(23(27)30)12-8-9-14-16(10-12)34-11-33-14/h5-10H,4,11H2,1-3H3,(H2,24,29)

InChI Key

UIVCZPUAJAACSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.41

Polar Surface Area

105.266

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C561-3256 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C561-3256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3256?
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What is the minimum amount of C561-3256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3256
  • 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 C561-3256 available by request