G581-0028 Screening compound: 4-(2-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-2-OXOETHYL)-2-(1-METHYL-1H-INDOL-3-YL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDIN-5-ONE

G581-0028 Screening compound: 4-(2-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-2-OXOETHYL)-2-(1-METHYL-1H-INDOL-3-YL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDIN-5-ONE
G581-0028 Screening compound: 4-(2-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-2-OXOETHYL)-2-(1-METHYL-1H-INDOL-3-YL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDIN-5-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0028
4-(2-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-2-OXOETHYL)-2-(1-METHYL-1H-INDOL-3-YL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDIN-5-ONE

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

G581-0028

Molecular Formula

C24H27N5O4 (C24 H27 N5 O4)

Compound Name

4-(2-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-2-OXOETHYL)-2-(1-METHYL-1H-INDOL-3-YL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDIN-5-ONE

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2c(-c2nn(CCC(N3CC(N(CC4)CCC44OCCO4)=O)=O)c3c2)c1

InChI

InChI=1S/C24H27N5O4/c1-26-15-18(17-4-2-3-5-20(17)26)19-14-21-28(22(30)6-9-29(21)25-19)16-23(31)27-10-7-24(8-11-27)32-12-13-33-24/h2-5,14-15H,6-13,16H2,1H3

InChI Key

UYLSDTPDIHNFGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-2.18

Polar Surface Area

61.410

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G581-0028 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G581-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0028?
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What is the minimum amount of G581-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0028
  • 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 G581-0028 available by request