G417-0430 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide

G417-0430 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
G417-0430 Screening compound: 9-(2H-1,3-benzodioxol-5-yl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G417-0430
9-(2H-1,3-benzodioxol-5-yl)-8-oxo-2-[4-(propan-2-yl)phenyl]-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

G417-0430

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

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

IUPAC name

9-(2H-13-benzodioxol-5-yl)-8-oxo-2-[4-(propan-2-yl)phenyl]-89-dihydro-7H-purine-6-carboxamide

SMILES

CC(C)c(cc1)ccc1-c(nc1C(N)=O)nc(N2c(cc3)cc4c3OCO4)c1NC2=O

InChI

InChI=1S/C22H19N5O4/c1-11(2)12-3-5-13(6-4-12)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)14-7-8-15-16(9-14)31-10-30-15/h3-9,11H,10H2,1-2H3,(H2,23,28)(H,25,29)

InChI Key

VDLPGLIZOISXNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07645836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.48

Polar Surface Area

95.726

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G417-0430 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with G417-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G417-0430?
Check Price and Availability of G417-0430, 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 G417-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G417-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G417-0430
  • 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 G417-0430 available by request