SB69-0580 Screening compound: 4-{[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

SB69-0580 Screening compound: 4-{[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}tetrahydro-2(1H)-pyrazinone
SB69-0580 Screening compound: 4-{[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0580
4-{[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

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

SB69-0580

Molecular Formula

C16H17N5O3 (C16 H17 N5 O3)

Compound Name

4-{[(5S)-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

IUPAC name

4-[(5S)-5-(pyridin-4-yloxy)-4H5H6H-pyrrolo[12-b]pyrazole-2-carbonyl]piperazin-2-one

SMILES

O=C(c1nn(C[C@H](C2)Oc3ccncc3)c2c1)N(CCN1)CC1=O

InChI

InChI=1S/C16H17N5O3/c22-15-10-20(6-5-18-15)16(23)14-8-11-7-13(9-21(11)19-14)24-12-1-3-17-4-2-12/h1-4,8,13H,5-7,9-10H2,(H,18,22)/t13-/m0/s1

InChI Key

IFADWBBTLLKROC-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.099

Distribution Coefficient, logD

-1.099

Water Solubility, LogSw

-1.23

Polar Surface Area

71.563

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB69-0580 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB69-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0580?
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What is the minimum amount of SB69-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0580
  • 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 SB69-0580 available by request