G581-0336 Screening compound: N-[(4-chlorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide

G581-0336 Screening compound: N-[(4-chlorophenyl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide
G581-0336 Screening compound: N-[(4-chlorophenyl)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 G581-0336
N-[(4-chlorophenyl)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

G581-0336

Molecular Formula

C26H26ClN5O2 (C26 H26 ClN5 O2)

Compound Name

N-[(4-chlorophenyl)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-chlorophenyl)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)ccc4Cl)=O)=O)c3c2)c1

InChI

InChI=1S/C26H26ClN5O2/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

WSSBXMLLYVILIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.98

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

3.377

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.95

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

G581-0336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous 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 G581-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0336?
Check Price and Availability of G581-0336, 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 G581-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0336
  • 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 G581-0336 available by request