M078-0448 Screening compound: N-(2-CHLORO-4-FLUOROBENZYL)-1-(1,3-DIMETHYL-1H-PYRAZOLO[3,4-C]PYRIDIN-7-YL)-3-PIPERIDINECARBOXAMIDE

M078-0448 Screening compound: N-(2-CHLORO-4-FLUOROBENZYL)-1-(1,3-DIMETHYL-1H-PYRAZOLO[3,4-C]PYRIDIN-7-YL)-3-PIPERIDINECARBOXAMIDE
M078-0448 Screening compound: N-(2-CHLORO-4-FLUOROBENZYL)-1-(1,3-DIMETHYL-1H-PYRAZOLO[3,4-C]PYRIDIN-7-YL)-3-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M078-0448
N-(2-CHLORO-4-FLUOROBENZYL)-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

M078-0448

Molecular Formula

C21H23ClFN5O (C21 H23 ClFN5 O)

Compound Name

N-(2-CHLORO-4-FLUOROBENZYL)-1-(1,3-DIMETHYL-1H-PYRAZOLO[3,4-C]PYRIDIN-7-YL)-3-PIPERIDINECARBOXAMIDE

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-1-{13-dimethyl-1H-pyrazolo[34-c]pyridin-7-yl}piperidine-3-carboxamide

SMILES

Cc1nn(C)c2c1ccnc2N(CCC1)CC1C(NCc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C21H23ClFN5O/c1-13-17-7-8-24-20(19(17)27(2)26-13)28-9-3-4-15(12-28)21(29)25-11-14-5-6-16(23)10-18(14)22/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1

InChI Key

KSTYHFGMGXWJBE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15140514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-3.40

Polar Surface Area

51.137

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

M078-0448 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M078-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M078-0448?
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What is the minimum amount of M078-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M078-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M078-0448
  • 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 M078-0448 available by request