C561-3086 Screening compound: N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-3086 Screening compound: N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-3086 Screening compound: N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3086
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,6-dimethyl-1-(4-methylphenyl)-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

C561-3086

Molecular Formula

C29H32FN5O (C29 H32 FN5 O)

Compound Name

N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCC2CCN(Cc3cccc(F)c3)CC2)=O)nn1-c1ccc(C)cc1

InChI

InChI=1S/C29H32FN5O/c1-19-7-9-25(10-8-19)35-28-27(21(3)33-35)26(15-20(2)32-28)29(36)31-17-22-11-13-34(14-12-22)18-23-5-4-6-24(30)16-23/h4-10,15-16,22H,11-14,17-18H2,1-3H3,(H,31,36)

InChI Key

FOYZYFUZEYMBCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-4.85

Polar Surface Area

51.586

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C561-3086 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C561-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3086?
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What is the minimum amount of C561-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3086
  • 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 C561-3086 available by request