G581-0123 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

G581-0123 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
G581-0123 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0123
2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

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

G581-0123

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

IUPAC name

2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

SMILES

Cc1cccc(CNC(CN(c2cc(-c3cn(C)c4c3cccc4)nn2CC2)C2=O)=O)c1

InChI

InChI=1S/C25H25N5O2/c1-17-6-5-7-18(12-17)14-26-23(31)16-29-24-13-21(27-30(24)11-10-25(29)32)20-15-28(2)22-9-4-3-8-19(20)22/h3-9,12-13,15H,10-11,14,16H2,1-2H3,(H,26,31)

InChI Key

XFFDPPUXCQFLDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.67

Polar Surface Area

55.052

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G581-0123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G581-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0123?
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What is the minimum amount of G581-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0123
  • 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 G581-0123 available by request