C561-2317 Screening compound: 3,6-dimethyl-N-[2-(4-methylpiperazino)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2317 Screening compound: 3,6-dimethyl-N-[2-(4-methylpiperazino)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2317 Screening compound: 3,6-dimethyl-N-[2-(4-methylpiperazino)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2317
3,6-dimethyl-N-[2-(4-methylpiperazino)ethyl]-1-phenyl-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

C561-2317

Molecular Formula

C22H28N6O (C22 H28 N6 O)

Compound Name

3,6-dimethyl-N-[2-(4-methylpiperazino)ethyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(NCCN2CCN(C)CC2)=O)nn1-c1ccccc1

InChI

InChI=1S/C22H28N6O/c1-16-15-19(22(29)23-9-10-27-13-11-26(3)12-14-27)20-17(2)25-28(21(20)24-16)18-7-5-4-6-8-18/h4-8,15H,9-14H2,1-3H3,(H,23,29)

InChI Key

ZJBJDNVRLVAALT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

1.721

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-2.72

Polar Surface Area

55.155

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C561-2317 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2317?
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What is the minimum amount of C561-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2317
  • 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 C561-2317 available by request