G581-0159 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(prop-2-en-1-yl)acetamide

G581-0159 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(prop-2-en-1-yl)acetamide
G581-0159 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0159
2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(prop-2-en-1-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

G581-0159

Molecular Formula

C20H21N5O2 (C20 H21 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-(prop-2-en-1-yl)acetamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-3-9-21-18(26)13-24-19-11-16(22-25(19)10-8-20(24)27)15-12-23(2)17-7-5-4-6-14(15)17/h3-7,11-12H,1,8-10,13H2,2H3,(H,21,26)

InChI Key

BEFSJIKCKAKUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

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

1.611

Distribution Coefficient, logD

1.611

Water Solubility, LogSw

-2.53

Polar Surface Area

55.165

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G581-0159 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)

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 G581-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0159?
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What is the minimum amount of G581-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0159
  • 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 G581-0159 available by request