SB69-0486 Screening compound: 1'-{[(5S)-5-(pyridin-3-yloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}-1,4'-bipiperidine

SB69-0486 Screening compound: 1'-{[(5S)-5-(pyridin-3-yloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}-1,4'-bipiperidine
SB69-0486 Screening compound: 1'-{[(5S)-5-(pyridin-3-yloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0486
1'-{[(5S)-5-(pyridin-3-yloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}-1,4'-bipiperidine

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

SB69-0486

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

1'-{[(5S)-5-(pyridin-3-yloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}-1,4'-bipiperidine

IUPAC name

1'-[(5S)-5-(pyridin-3-yloxy)-4H5H6H-pyrrolo[12-b]pyrazole-2-carbonyl]-14'-bipiperidine

SMILES

O=C(c1nn(C[C@H](C2)Oc3cnccc3)c2c1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C22H29N5O2/c28-22(26-11-6-17(7-12-26)25-9-2-1-3-10-25)21-14-18-13-20(16-27(18)24-21)29-19-5-4-8-23-15-19/h4-5,8,14-15,17,20H,1-3,6-7,9-13,16H2/t20-/m1/s1

InChI Key

PYHSSOOTQYNZIV-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

-1.776

Water Solubility, LogSw

-1.34

Polar Surface Area

49.789

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SB69-0486 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 Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB69-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0486?
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What is the minimum amount of SB69-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0486
  • 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 SB69-0486 available by request