C561-2860 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2860 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2860 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2860
1-(2-chlorophenyl)-3,6-dimethyl-N-[(pyridin-3-yl)methyl]-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

C561-2860

Molecular Formula

C21H18ClN5O (C21 H18 ClN5 O)

Compound Name

1-(2-chlorophenyl)-3,6-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(2-chlorophenyl)-36-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCc2cnccc2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C21H18ClN5O/c1-13-10-16(21(28)24-12-15-6-5-9-23-11-15)19-14(2)26-27(20(19)25-13)18-8-4-3-7-17(18)22/h3-11H,12H2,1-2H3,(H,24,28)

InChI Key

JLYGTBNMCZRCSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.59

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C561-2860 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2860?
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What is the minimum amount of C561-2860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2860
  • 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 C561-2860 available by request