C561-2773 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2773 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2773 Screening compound: 1-(2-chlorophenyl)-3,6-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2773
1-(2-chlorophenyl)-3,6-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-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

C561-2773

Molecular Formula

C21H24ClN5O (C21 H24 ClN5 O)

Compound Name

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

IUPAC name

1-(2-chlorophenyl)-36-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCCN2CCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C21H24ClN5O/c1-14-13-16(21(28)23-9-12-26-10-5-6-11-26)19-15(2)25-27(20(19)24-14)18-8-4-3-7-17(18)22/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,23,28)

InChI Key

FQUAXRKTJFQNMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-3.51

Polar Surface Area

51.743

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C561-2773 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 C561-2773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2773?
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What is the minimum amount of C561-2773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2773
  • 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 C561-2773 available by request