C561-2314 Screening compound: methyl 4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-amido}benzoate

C561-2314 Screening compound: methyl 4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-amido}benzoate
C561-2314 Screening compound: methyl 4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2314
methyl 4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-amido}benzoate

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

C561-2314

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

methyl 4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-amido}benzoate

IUPAC name

methyl 4-{36-dimethyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-amido}benzoate

SMILES

Cc(c(c1nc(C)c2)c2C(Nc(cc2)ccc2C(OC)=O)=O)nn1-c1ccccc1

InChI

InChI=1S/C23H20N4O3/c1-14-13-19(22(28)25-17-11-9-16(10-12-17)23(29)30-3)20-15(2)26-27(21(20)24-14)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,25,28)

InChI Key

GBBMXXMODGLYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.24

Polar Surface Area

67.706

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C561-2314 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2314?
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What is the minimum amount of C561-2314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2314
  • 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 C561-2314 available by request