D361-0088 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0088 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0088 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0088
4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

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

D361-0088

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2c(cc1)cc2c1OCO2

InChI

InChI=1S/C14H13N3O3/c1-7-13-9(5-12(18)15-14(13)17-16-7)8-2-3-10-11(4-8)20-6-19-10/h2-4,9H,5-6H2,1H3,(H2,15,16,17,18)/t9-/m0/s1

InChI Key

ZKCSCSBCAWQEBP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27581841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-2.13

Polar Surface Area

65.817

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D361-0088 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Others
  • Proteases
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D361-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0088?
Check Price and Availability of D361-0088, 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 D361-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0088
  • 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 D361-0088 available by request