M078-0456 Screening compound: N-(4-butoxybenzyl)-1-(1,3-dimethyl-1H-pyrazolo[3,4-c]pyridin-7-yl)-3-piperidinecarboxamide

M078-0456 Screening compound: N-(4-butoxybenzyl)-1-(1,3-dimethyl-1H-pyrazolo[3,4-c]pyridin-7-yl)-3-piperidinecarboxamide
M078-0456 Screening compound: N-(4-butoxybenzyl)-1-(1,3-dimethyl-1H-pyrazolo[3,4-c]pyridin-7-yl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M078-0456
N-(4-butoxybenzyl)-1-(1,3-dimethyl-1H-pyrazolo[3,4-c]pyridin-7-yl)-3-piperidinecarboxamide

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

M078-0456

Molecular Formula

C25H33N5O2 (C25 H33 N5 O2)

Compound Name

N-(4-butoxybenzyl)-1-(1,3-dimethyl-1H-pyrazolo[3,4-c]pyridin-7-yl)-3-piperidinecarboxamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-1-{13-dimethyl-1H-pyrazolo[34-c]pyridin-7-yl}piperidine-3-carboxamide

SMILES

CCCCOc1ccc(CNC(C(CCC2)CN2c2nccc3c2n(C)nc3C)=O)cc1

InChI

InChI=1S/C25H33N5O2/c1-4-5-15-32-21-10-8-19(9-11-21)16-27-25(31)20-7-6-14-30(17-20)24-23-22(12-13-26-24)18(2)28-29(23)3/h8-13,20H,4-7,14-17H2,1-3H3,(H,27,31)

InChI Key

NVTCRLYQGFYRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.26

Polar Surface Area

58.555

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

M078-0456 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M078-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M078-0456?
Check Price and Availability of M078-0456, 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 M078-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M078-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M078-0456
  • 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 M078-0456 available by request