D361-0114 Screening compound: 2-(2-methoxy-4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

D361-0114 Screening compound: 2-(2-methoxy-4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
D361-0114 Screening compound: 2-(2-methoxy-4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0114
2-(2-methoxy-4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

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

D361-0114

Molecular Formula

C16H18N4O4 (C16 H18 N4 O4)

Compound Name

2-(2-methoxy-4-{3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

IUPAC name

2-(2-methoxy-4-{3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}phenoxy)acetamide

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2c(cc1)cc(OC)c1OCC(N)=O

InChI

InChI=1S/C16H18N4O4/c1-8-15-10(6-14(22)18-16(15)20-19-8)9-3-4-11(12(5-9)23-2)24-7-13(17)21/h3-5,10H,6-7H2,1-2H3,(H2,17,21)(H2,18,19,20,22)/t10-/m0/s1

InChI Key

OBOUDPWDRKPCGV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD18483910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.258

Distribution Coefficient, logD

-0.258

Water Solubility, LogSw

-1.87

Polar Surface Area

97.306

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D361-0114 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

BRD4 Targeted Library (4534 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D361-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0114?
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What is the minimum amount of D361-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0114
  • 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 D361-0114 available by request