8561-08406 Screening compound: 6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

8561-08406 Screening compound: 6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione
8561-08406 Screening compound: 6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08406
6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

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

8561-08406

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

IUPAC name

6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-1H2H3H4H7H-pyrazolo[34-b]pyridine-34-dione

SMILES

Cc1cccc(CC2=C(C)NC(NN(C3=O)c4ccccc4)=C3C2=O)c1

InChI

InChI=1S/C21H19N3O2/c1-13-7-6-8-15(11-13)12-17-14(2)22-20-18(19(17)25)21(26)24(23-20)16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H2,22,23,25)

InChI Key

LMBHJWDWRJSCEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.68

Polar Surface Area

51.667

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8561-08406 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8561-08406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08406?
Check Price and Availability of 8561-08406, 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 8561-08406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08406
  • 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 8561-08406 available by request