SB01-0527 Screening compound: 1-methyl-3-[(2-pyrazinyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (4-propoxyphenyl) sulfone

SB01-0527 Screening compound: 1-methyl-3-[(2-pyrazinyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (4-propoxyphenyl) sulfone
SB01-0527 Screening compound: 1-methyl-3-[(2-pyrazinyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (4-propoxyphenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0527
1-methyl-3-[(2-pyrazinyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (4-propoxyphenyl) sulfone

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

SB01-0527

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

1-methyl-3-[(2-pyrazinyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (4-propoxyphenyl) sulfone

IUPAC name

2-{[1-methyl-5-(4-propoxybenzenesulfonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methoxy}pyrazine

SMILES

CCCOc(cc1)ccc1S(N(CC1)Cc2c1n(C)nc2COc1nccnc1)(=O)=O

InChI

InChI=1S/C21H25N5O4S/c1-3-12-29-16-4-6-17(7-5-16)31(27,28)26-11-8-20-18(14-26)19(24-25(20)2)15-30-21-13-22-9-10-23-21/h4-7,9-10,13H,3,8,11-12,14-15H2,1-2H3

InChI Key

GCZAXEFALFQDMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32243820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-2.50

Polar Surface Area

80.236

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

SB01-0527 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 SB01-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0527?
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What is the minimum amount of SB01-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0527
  • 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 SB01-0527 available by request