C561-2812 Screening compound: 1-(2-chlorophenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2812 Screening compound: 1-(2-chlorophenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2812 Screening compound: 1-(2-chlorophenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2812
1-(2-chlorophenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethyl-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

C561-2812

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(Nc(cc2)cc(OC)c2OC)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C23H21ClN4O3/c1-13-11-16(23(29)26-15-9-10-19(30-3)20(12-15)31-4)21-14(2)27-28(22(21)25-13)18-8-6-5-7-17(18)24/h5-12H,1-4H3,(H,26,29)

InChI Key

ZJRDEXLGAOSTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.23

Polar Surface Area

61.492

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C561-2812 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 C561-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2812?
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What is the minimum amount of C561-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2812
  • 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 C561-2812 available by request