S433-1091 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide

S433-1091 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide
S433-1091 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1091
N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide

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

S433-1091

Molecular Formula

C23H22N6O3 (C23 H22 N6 O3)

Compound Name

N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide

IUPAC name

N-(1-{6-methyl-4-oxo-4H5H-pyrazolo[15-a]pyrazine-2-carbonyl}piperidin-4-yl)isoquinoline-1-carboxamide

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(N(CC1)CCC1NC(c1nccc2ccccc12)=O)=O

InChI

InChI=1S/C23H22N6O3/c1-14-13-29-19(21(30)25-14)12-18(27-29)23(32)28-10-7-16(8-11-28)26-22(31)20-17-5-3-2-4-15(17)6-9-24-20/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,25,30)(H,26,31)

InChI Key

JHUCXHXOQCOEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.784

Distribution Coefficient, logD

0.166

Water Solubility, LogSw

-2.43

Polar Surface Area

87.922

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S433-1091 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S433-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1091?
Check Price and Availability of S433-1091, 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 S433-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1091
  • 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 S433-1091 available by request