SB69-0591 Screening compound: [4-(2,3-dimethylphenyl)piperazino][(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone

SB69-0591 Screening compound: [4-(2,3-dimethylphenyl)piperazino][(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone
SB69-0591 Screening compound: [4-(2,3-dimethylphenyl)piperazino][(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 SB69-0591
[4-(2,3-dimethylphenyl)piperazino][(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

SB69-0591

Molecular Formula

C24H27N5O2 (C24 H27 N5 O2)

Compound Name

[4-(2,3-dimethylphenyl)piperazino][(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methanone

IUPAC name

1-(23-dimethylphenyl)-4-[(5S)-5-(pyridin-4-yloxy)-4H5H6H-pyrrolo[12-b]pyrazole-2-carbonyl]piperazine

SMILES

Cc1cccc(N(CC2)CCN2C(c2nn(C[C@H](C3)Oc4ccncc4)c3c2)=O)c1C

InChI

InChI=1S/C24H27N5O2/c1-17-4-3-5-23(18(17)2)27-10-12-28(13-11-27)24(30)22-15-19-14-21(16-29(19)26-22)31-20-6-8-25-9-7-20/h3-9,15,21H,10-14,16H2,1-2H3/t21-/m1/s1

InChI Key

ZCFPSRZAPUWZGV-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-2.90

Polar Surface Area

49.565

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB69-0591 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 SB69-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0591?
Check Price and Availability of SB69-0591, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB69-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0591
  • 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 SB69-0591 available by request