C561-2319 Screening compound: 3,6-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2319 Screening compound: 3,6-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2319 Screening compound: 3,6-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2319
3,6-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

C561-2319

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

3,6-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

36-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc1c(CCNC(c2c(c(C)nn3-c4ccccc4)c3nc(C)c2)=O)scc1

InChI

InChI=1S/C22H22N4OS/c1-14-10-12-28-19(14)9-11-23-22(27)18-13-15(2)24-21-20(18)16(3)25-26(21)17-7-5-4-6-8-17/h4-8,10,12-13H,9,11H2,1-3H3,(H,23,27)

InChI Key

KTXRNGGZRISRFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.36

Polar Surface Area

48.714

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C561-2319 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • 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 C561-2319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2319?
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What is the minimum amount of C561-2319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2319
  • 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 C561-2319 available by request