C561-2755 Screening compound: ethyl 4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-amido]piperidine-1-carboxylate

C561-2755 Screening compound: ethyl 4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-amido]piperidine-1-carboxylate
C561-2755 Screening compound: ethyl 4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2755
ethyl 4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-amido]piperidine-1-carboxylate

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

C561-2755

Molecular Formula

C23H26ClN5O3 (C23 H26 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1NC(c1c(c(C)nn2-c(cccc3)c3Cl)c2nc(C)c1)=O)=O

InChI

InChI=1S/C23H26ClN5O3/c1-4-32-23(31)28-11-9-16(10-12-28)26-22(30)17-13-14(2)25-21-20(17)15(3)27-29(21)19-8-6-5-7-18(19)24/h5-8,13,16H,4,9-12H2,1-3H3,(H,26,30)

InChI Key

JCNSFEQXHZDNDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.02

Polar Surface Area

70.058

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C561-2755 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 C561-2755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2755?
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What is the minimum amount of C561-2755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2755
  • 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 C561-2755 available by request