C561-3252 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C561-3252 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C561-3252 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3252
9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-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

C561-3252

Molecular Formula

C21H17N5O5 (C21 H17 N5 O5)

Compound Name

9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(2H-13-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

CN(c1c(N2c(cc3)cc4c3OCO4)nc(-c(cc3)ccc3OC)nc1C(N)=O)C2=O

InChI

InChI=1S/C21H17N5O5/c1-25-17-16(18(22)27)23-19(11-3-6-13(29-2)7-4-11)24-20(17)26(21(25)28)12-5-8-14-15(9-12)31-10-30-14/h3-9H,10H2,1-2H3,(H2,22,27)

InChI Key

CYXYPIUCLJWASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.50

Polar Surface Area

97.503

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C561-3252 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C561-3252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3252?
Check Price and Availability of C561-3252, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C561-3252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3252
  • 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 C561-3252 available by request