C561-2567 Screening compound: ethyl 4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

C561-2567 Screening compound: ethyl 4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
C561-2567 Screening compound: ethyl 4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2567
ethyl 4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-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

C561-2567

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

ethyl 4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(c(C)nn2-c3ccc(C)cc3)c2nc(C)c1)=O)=O

InChI

InChI=1S/C23H27N5O3/c1-5-31-23(30)27-12-10-26(11-13-27)22(29)19-14-16(3)24-21-20(19)17(4)25-28(21)18-8-6-15(2)7-9-18/h6-9,14H,5,10-13H2,1-4H3

InChI Key

WBPQZHVFHQCZTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.27

Polar Surface Area

62.869

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C561-2567 in Drug Discovery

Included in Screening Libraries

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

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 C561-2567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2567?
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What is the minimum amount of C561-2567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2567
  • 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 C561-2567 available by request