D361-0031 Screening compound: 4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0031 Screening compound: 4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0031 Screening compound: 4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0031
4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-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

D361-0031

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2c1cccc(OC)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C21H20ClN3O3/c1-12-19-15(10-18(26)23-21(19)25-24-12)14-7-5-9-17(27-2)20(14)28-11-13-6-3-4-8-16(13)22/h3-9,15H,10-11H2,1-2H3,(H2,23,24,25,26)/t15-/m1/s1

InChI Key

KKIHKLOMEQAVQN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27581816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.400

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.63

Polar Surface Area

63.733

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D361-0031 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D361-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0031?
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What is the minimum amount of D361-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0031
  • 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 D361-0031 available by request