G581-0295 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

G581-0295 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
G581-0295 Screening compound: 2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0295
2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-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

G581-0295

Molecular Formula

C24H30N6O2 (C24 H30 N6 O2)

Compound Name

2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

IUPAC name

2-(1-methyl-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-4H5H6H7H-pyrazolo[15-a]pyrimidin-5-one

SMILES

Cn1c(cccc2)c2c(-c2nn(CCC(N3CCCC(N4CCN(C)CC4)=O)=O)c3c2)c1

InChI

InChI=1S/C24H30N6O2/c1-26-12-14-28(15-13-26)23(31)8-5-10-29-22-16-20(25-30(22)11-9-24(29)32)19-17-27(2)21-7-4-3-6-18(19)21/h3-4,6-7,16-17H,5,8-15H2,1-2H3

InChI Key

VXTOIMIGSFLLAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.306

Distribution Coefficient, logD

1.059

Water Solubility, LogSw

-2.04

Polar Surface Area

50.428

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G581-0295 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G581-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0295?
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What is the minimum amount of G581-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0295
  • 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 G581-0295 available by request