S433-0552 Screening compound: N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

S433-0552 Screening compound: N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
S433-0552 Screening compound: N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-0552
N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-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

S433-0552

Molecular Formula

C13H12N4O3 (C13 H12 N4 O3)

Compound Name

N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-6-methyl-4-oxo-4H5H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(NCc1ccco1)=O

InChI

InChI=1S/C13H12N4O3/c1-8-7-17-11(13(19)15-8)5-10(16-17)12(18)14-6-9-3-2-4-20-9/h2-5,7H,6H2,1H3,(H,14,18)(H,15,19)

InChI Key

MRENOFHOLMRLKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.673

Distribution Coefficient, logD

0.055

Water Solubility, LogSw

-1.80

Polar Surface Area

69.942

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

S433-0552 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S433-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-0552?
Check Price and Availability of S433-0552, 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 S433-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-0552
  • 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 S433-0552 available by request