C561-2708 Screening compound: 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2708 Screening compound: 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2708 Screening compound: 1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2708
1-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-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

C561-2708

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(NCc(cccc2)c2OC)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C23H21ClN4O2/c1-14-12-17(23(29)25-13-16-8-4-7-11-20(16)30-3)21-15(2)27-28(22(21)26-14)19-10-6-5-9-18(19)24/h4-12H,13H2,1-3H3,(H,25,29)

InChI Key

XMOZHMUEOBPNNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

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

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.60

Polar Surface Area

55.183

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C561-2708 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 C561-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2708?
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What is the minimum amount of C561-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2708
  • 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 C561-2708 available by request