G417-0317 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

G417-0317 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
G417-0317 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G417-0317
9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-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

G417-0317

Molecular Formula

C21H17N5O6 (C21 H17 N5 O6)

Compound Name

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

IUPAC name

9-(2H-13-benzodioxol-5-yl)-2-(34-dimethoxyphenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

COc(ccc(-c(nc1C(N)=O)nc(N2c(cc3)cc4c3OCO4)c1NC2=O)c1)c1OC

InChI

InChI=1S/C21H17N5O6/c1-29-12-5-3-10(7-14(12)30-2)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)11-4-6-13-15(8-11)32-9-31-13/h3-8H,9H2,1-2H3,(H2,22,27)(H,24,28)

InChI Key

VKUGAVLHHPJSGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07721137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-3.08

Polar Surface Area

110.987

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G417-0317 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • 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 G417-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G417-0317?
Check Price and Availability of G417-0317, 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 G417-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G417-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G417-0317
  • 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 G417-0317 available by request