C561-2064 Screening compound: N-cycloheptyl-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C561-2064 Screening compound: N-cycloheptyl-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C561-2064 Screening compound: N-cycloheptyl-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2064
N-cycloheptyl-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C561-2064

Molecular Formula

C27H36N4O (C27 H36 N4 O)

Compound Name

N-cycloheptyl-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-cycloheptyl-3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(NC2CCCCCC2)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C27H36N4O/c1-17-12-13-23(16-18(17)2)31-27-26(21(5)30-31)19(3)24(20(4)28-27)14-15-25(32)29-22-10-8-6-7-9-11-22/h12-13,16,22H,6-11,14-15H2,1-5H3,(H,29,32)

InChI Key

AGOJYNHUNDWUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

6.190

Water Solubility, LogSw

-5.60

Polar Surface Area

48.467

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

C561-2064 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C561-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2064?
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What is the minimum amount of C561-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2064
  • 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 C561-2064 available by request