G581-0016 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

G581-0016 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
G581-0016 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0016
2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-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

G581-0016

Molecular Formula

C29H32N6O2 (C29 H32 N6 O2)

Compound Name

2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

IUPAC name

2-(1-methyl-1H-indol-3-yl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4H5H6H7H-pyrazolo[15-a]pyrimidin-5-one

SMILES

CC(CN(CC1)C(CN(c2cc(-c3cn(C)c4c3cccc4)nn2CC2)C2=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C29H32N6O2/c1-20-7-6-8-22(15-20)33-14-13-32(17-21(33)2)29(37)19-34-27-16-25(30-35(27)12-11-28(34)36)24-18-31(3)26-10-5-4-9-23(24)26/h4-10,15-16,18,21H,11-14,17,19H2,1-3H3/t21-/m0/s1

InChI Key

CFJGLYPBLXWSGQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15020481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.74

Polar Surface Area

49.451

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

G581-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune 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 G581-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0016?
Check Price and Availability of G581-0016, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G581-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0016
  • 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 G581-0016 available by request