G581-0240 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

G581-0240 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
G581-0240 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0240
2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]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

G581-0240

Molecular Formula

C24H31N7O2 (C24 H31 N7 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-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(-c2nn(CCC(N3CC(NCCN4CCN(C)CC4)=O)=O)c3c2)c1

InChI

InChI=1S/C24H31N7O2/c1-27-11-13-29(14-12-27)10-8-25-22(32)17-30-23-15-20(26-31(23)9-7-24(30)33)19-16-28(2)21-6-4-3-5-18(19)21/h3-6,15-16H,7-14,17H2,1-2H3,(H,25,32)

InChI Key

SKDKBPHYQSNRLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.703

Distribution Coefficient, logD

0.036

Water Solubility, LogSw

-2.32

Polar Surface Area

62.352

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G581-0240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G581-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0240?
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What is the minimum amount of G581-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0240
  • 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 G581-0240 available by request