G417-0211 Screening compound: 9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-8,9-dihydro-7H-purine-6-carboxamide

G417-0211 Screening compound: 9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-8,9-dihydro-7H-purine-6-carboxamide
G417-0211 Screening compound: 9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G417-0211
9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-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

G417-0211

Molecular Formula

C18H14N6O2 (C18 H14 N6 O2)

Compound Name

9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(3-methylphenyl)-8-oxo-2-(pyridin-3-yl)-89-dihydro-7H-purine-6-carboxamide

SMILES

Cc1cccc(N(c(nc(-c2cnccc2)nc2C(N)=O)c2N2)C2=O)c1

InChI

InChI=1S/C18H14N6O2/c1-10-4-2-6-12(8-10)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)11-5-3-7-20-9-11/h2-9H,1H3,(H2,19,25)(H,22,26)

InChI Key

XVQMHZWTNIABIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-2.23

Polar Surface Area

88.128

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

G417-0211 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G417-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G417-0211?
Check Price and Availability of G417-0211, 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 G417-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G417-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G417-0211
  • 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 G417-0211 available by request