G581-0279 Screening compound: N-[(4-ethylphenyl)methyl]-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

G581-0279 Screening compound: N-[(4-ethylphenyl)methyl]-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
G581-0279 Screening compound: N-[(4-ethylphenyl)methyl]-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0279
N-[(4-ethylphenyl)methyl]-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]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

G581-0279

Molecular Formula

C26H27N5O2 (C26 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(CN(c2cc(-c3cn(C)c4c3cccc4)nn2CC2)C2=O)=O)cc1

InChI

InChI=1S/C26H27N5O2/c1-3-18-8-10-19(11-9-18)15-27-24(32)17-30-25-14-22(28-31(25)13-12-26(30)33)21-16-29(2)23-7-5-4-6-20(21)23/h4-11,14,16H,3,12-13,15,17H2,1-2H3,(H,27,32)

InChI Key

LIYHSNNREZEDJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.72

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

26.90

G581-0279 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G581-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0279?
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What is the minimum amount of G581-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0279
  • 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 G581-0279 available by request