SB01-0561 Screening compound: 2-(4-methylphenyl)-1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-1-ethanone

SB01-0561 Screening compound: 2-(4-methylphenyl)-1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-1-ethanone
SB01-0561 Screening compound: 2-(4-methylphenyl)-1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0561
2-(4-methylphenyl)-1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-1-ethanone

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

SB01-0561

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

2-(4-methylphenyl)-1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-1-ethanone

IUPAC name

1-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-(4-methylphenyl)ethan-1-one

SMILES

Cc1ccc(CC(N(CC2)Cc3c2n(C)nc3COc2ncccc2)=O)cc1

InChI

InChI=1S/C22H24N4O2/c1-16-6-8-17(9-7-16)13-22(27)26-12-10-20-18(14-26)19(24-25(20)2)15-28-21-5-3-4-11-23-21/h3-9,11H,10,12-15H2,1-2H3

InChI Key

GNBURFBPQSVCQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-2.60

Polar Surface Area

47.710

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

SB01-0561 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB01-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0561?
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What is the minimum amount of SB01-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0561
  • 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 SB01-0561 available by request