Y041-6170 Screening compound: 1-{1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-4-ethylpiperazine

Y041-6170 Screening compound: 1-{1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-4-ethylpiperazine
Y041-6170 Screening compound: 1-{1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6170
1-{1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-4-ethylpiperazine

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

Y041-6170

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

1-{1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}-4-ethylpiperazine

IUPAC name

1-{13-dimethyl-6-phenyl-1H-pyrazolo[34-b]pyridine-4-carbonyl}-4-ethylpiperazine

SMILES

CCN(CC1)CCN1C(c1c(c(C)nn2C)c2nc(-c2ccccc2)c1)=O

InChI

InChI=1S/C21H25N5O/c1-4-25-10-12-26(13-11-25)21(27)17-14-18(16-8-6-5-7-9-16)22-20-19(17)15(2)23-24(20)3/h5-9,14H,4,10-13H2,1-3H3

InChI Key

MBJGVIOCSOXTGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-3.04

Polar Surface Area

43.969

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y041-6170 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-6170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6170?
Check Price and Availability of Y041-6170, 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 Y041-6170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6170
  • 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 Y041-6170 available by request