C561-2799 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine

C561-2799 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine
C561-2799 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2799
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine

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

C561-2799

Molecular Formula

C20H21ClN4O (C20 H21 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(N2CCCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C20H21ClN4O/c1-13-12-15(20(26)24-10-6-3-7-11-24)18-14(2)23-25(19(18)22-13)17-9-5-4-8-16(17)21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3

InChI Key

QPMZITDWSXCUIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.87

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

3.533

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.75

Polar Surface Area

39.788

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C561-2799 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 C561-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2799?
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What is the minimum amount of C561-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2799
  • 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 C561-2799 available by request