SB01-0578 Screening compound: 1-(4-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}piperidin-1-yl)ethan-1-one

SB01-0578 Screening compound: 1-(4-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}piperidin-1-yl)ethan-1-one
SB01-0578 Screening compound: 1-(4-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0578
1-(4-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}piperidin-1-yl)ethan-1-one

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

SB01-0578

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

1-(4-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}piperidin-1-yl)ethan-1-one

IUPAC name

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

SMILES

CC(N(CC1)CCC1C(N(CC1)Cc2c1n(C)nc2COc1ncccc1)=O)=O

InChI

InChI=1S/C21H27N5O3/c1-15(27)25-10-6-16(7-11-25)21(28)26-12-8-19-17(13-26)18(23-24(19)2)14-29-20-5-3-4-9-22-20/h3-5,9,16H,6-8,10-14H2,1-2H3

InChI Key

WEBJLVLYXIWOGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.607

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-1.33

Polar Surface Area

65.625

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

SB01-0578 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB01-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0578?
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What is the minimum amount of SB01-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0578
  • 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 SB01-0578 available by request