SB01-0047 Screening compound: 2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl)pyridine

SB01-0047 Screening compound: 2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl)pyridine
SB01-0047 Screening compound: 2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0047
2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl)pyridine

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

SB01-0047

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl)pyridine

IUPAC name

2-methoxy-5-(1-methyl-3-{[(6-methylpyridin-2-yl)oxy]methyl}-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl)pyridine

SMILES

Cc1cccc(OCc2nn(C)c(CC3)c2CN3C(c(cc2)cnc2OC)=O)n1

InChI

InChI=1S/C21H23N5O3/c1-14-5-4-6-20(23-14)29-13-17-16-12-26(10-9-18(16)25(2)24-17)21(27)15-7-8-19(28-3)22-11-15/h4-8,11H,9-10,12-13H2,1-3H3

InChI Key

XWNJUUDFXSTWQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

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

1.745

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-1.82

Polar Surface Area

64.193

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

SB01-0047 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 SB01-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0047?
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What is the minimum amount of SB01-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0047
  • 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 SB01-0047 available by request