SB69-0561 Screening compound: (4-benzylpiperidino)[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone

SB69-0561 Screening compound: (4-benzylpiperidino)[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone
SB69-0561 Screening compound: (4-benzylpiperidino)[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0561
(4-benzylpiperidino)[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone

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

SB69-0561

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

(4-benzylpiperidino)[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone

IUPAC name

4-{[(5S)-2-(4-benzylpiperidine-1-carbonyl)-4H5H6H-pyrrolo[12-b]pyrazol-5-yl]oxy}pyridine

SMILES

O=C(c1nn(C[C@H](C2)Oc3ccncc3)c2c1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H26N4O2/c29-24(27-12-8-19(9-13-27)14-18-4-2-1-3-5-18)23-16-20-15-22(17-28(20)26-23)30-21-6-10-25-11-7-21/h1-7,10-11,16,19,22H,8-9,12-15,17H2/t22-/m1/s1

InChI Key

DVKUUPKIBMRZLU-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

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

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.12

Polar Surface Area

46.334

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB69-0561 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB69-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0561?
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What is the minimum amount of SB69-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0561
  • 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 SB69-0561 available by request