G581-0397 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide

G581-0397 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide
G581-0397 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0397
N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide

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

G581-0397

Molecular Formula

C26H26FN5O2 (C26 H26 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(-c2nn(CCC(N3CCCC(NCc(cc4)ccc4F)=O)=O)c3c2)c1

InChI

InChI=1S/C26H26FN5O2/c1-30-17-21(20-5-2-3-6-23(20)30)22-15-25-31(26(34)12-14-32(25)29-22)13-4-7-24(33)28-16-18-8-10-19(27)11-9-18/h2-3,5-6,8-11,15,17H,4,7,12-14,16H2,1H3,(H,28,33)

InChI Key

YNCCRFGOAOGLCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.20

Polar Surface Area

55.030

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G581-0397 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G581-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0397?
Check Price and Availability of G581-0397, 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 G581-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0397
  • 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 G581-0397 available by request