SB01-0466 Screening compound: [5-(cyclohexylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

SB01-0466 Screening compound: [5-(cyclohexylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether
SB01-0466 Screening compound: [5-(cyclohexylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0466
[5-(cyclohexylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

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

SB01-0466

Molecular Formula

C19H27N5O (C19 H27 N5 O)

Compound Name

[5-(cyclohexylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

IUPAC name

2-{[5-(cyclohexylmethyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methoxy}pyrazine

SMILES

Cn1nc(COc2nccnc2)c2c1CCN(CC1CCCCC1)C2

InChI

InChI=1S/C19H27N5O/c1-23-18-7-10-24(12-15-5-3-2-4-6-15)13-16(18)17(22-23)14-25-19-11-20-8-9-21-19/h8-9,11,15H,2-7,10,12-14H2,1H3

InChI Key

HCFIYNKPJOTHNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32243453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

-2.599

Water Solubility, LogSw

-2.46

Polar Surface Area

45.032

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

12.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

SB01-0466 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB01-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0466?
Check Price and Availability of SB01-0466, 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 SB01-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0466
  • 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 SB01-0466 available by request