C561-2307 Screening compound: 3,6-dimethyl-1-phenyl-N-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2307 Screening compound: 3,6-dimethyl-1-phenyl-N-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2307 Screening compound: 3,6-dimethyl-1-phenyl-N-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2307
3,6-dimethyl-1-phenyl-N-[(thiophen-2-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

C561-2307

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

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

IUPAC name

36-dimethyl-1-phenyl-N-[(thiophen-2-yl)methyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCc2cccs2)=O)nn1-c1ccccc1

InChI

InChI=1S/C20H18N4OS/c1-13-11-17(20(25)21-12-16-9-6-10-26-16)18-14(2)23-24(19(18)22-13)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,25)

InChI Key

MKKHTMIQCNLAJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10700956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.09

Polar Surface Area

48.872

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C561-2307 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C561-2307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2307?
Check Price and Availability of C561-2307, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C561-2307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2307
  • 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 C561-2307 available by request