D361-0052 Screening compound: 4-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0052 Screening compound: 4-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0052 Screening compound: 4-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0052
4-[3-methoxy-4-(2-phenylethoxy)phenyl]-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

D361-0052

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

4-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2c(cc1)cc(OC)c1OCCc1ccccc1

InChI

InChI=1S/C22H23N3O3/c1-14-21-17(13-20(26)23-22(21)25-24-14)16-8-9-18(19(12-16)27-2)28-11-10-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3,(H2,23,24,25,26)/t17-/m0/s1

InChI Key

HRHYJMOMLPMQQI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27581818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.44

Polar Surface Area

63.565

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D361-0052 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D361-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0052?
Check Price and Availability of D361-0052, 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 D361-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0052
  • 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 D361-0052 available by request