C561-2782 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]pyrrolidine

C561-2782 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]pyrrolidine
C561-2782 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2782
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]pyrrolidine

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

C561-2782

Molecular Formula

C19H19ClN4O (C19 H19 ClN4 O)

Compound Name

1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]pyrrolidine

IUPAC name

1-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl]pyrrolidine

SMILES

Cc(c(c1nc(C)c2)c2C(N2CCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C19H19ClN4O/c1-12-11-14(19(25)23-9-5-6-10-23)17-13(2)22-24(18(17)21-12)16-8-4-3-7-15(16)20/h3-4,7-8,11H,5-6,9-10H2,1-2H3

InChI Key

QGFHIXPEOFYTGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.57

Polar Surface Area

40.154

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C561-2782 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • 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 C561-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2782?
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What is the minimum amount of C561-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2782
  • 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 C561-2782 available by request