D361-0122 Screening compound: 4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

D361-0122 Screening compound: 4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid
D361-0122 Screening compound: 4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0122
4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

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

D361-0122

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}benzoic acid

IUPAC name

4-{3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}benzoic acid

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2c(cc1)ccc1C(O)=O

InChI

InChI=1S/C14H13N3O3/c1-7-12-10(6-11(18)15-13(12)17-16-7)8-2-4-9(5-3-8)14(19)20/h2-5,10H,6H2,1H3,(H,19,20)(H2,15,16,17,18)/t10-/m0/s1

InChI Key

CTPARFFYVGGZSK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD18486832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.306

Distribution Coefficient, logD

-1.665

Water Solubility, LogSw

-1.92

Polar Surface Area

77.110

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D361-0122 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D361-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0122?
Check Price and Availability of D361-0122, 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 D361-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0122
  • 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 D361-0122 available by request