G581-0472 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide

G581-0472 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide
G581-0472 Screening compound: N-{[4-(dimethylamino)phenyl]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 G581-0472
N-{[4-(dimethylamino)phenyl]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

G581-0472

Molecular Formula

C28H32N6O2 (C28 H32 N6 O2)

Compound Name

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

SMILES

CN(C)c1ccc(CNC(CCCN(c2cc(-c3cn(C)c4c3cccc4)nn2CC2)C2=O)=O)cc1

InChI

InChI=1S/C28H32N6O2/c1-31(2)21-12-10-20(11-13-21)18-29-26(35)9-6-15-33-27-17-24(30-34(27)16-14-28(33)36)23-19-32(3)25-8-5-4-7-22(23)25/h4-5,7-8,10-13,17,19H,6,9,14-16,18H2,1-3H3,(H,29,35)

InChI Key

SBNQCCUYULLXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.22

Polar Surface Area

57.835

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G581-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 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 G581-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0472?
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What is the minimum amount of G581-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0472
  • 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 G581-0472 available by request