S433-1153 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)cyclobutanecarboxamide

S433-1153 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)cyclobutanecarboxamide
S433-1153 Screening compound: N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-1153
N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)cyclobutanecarboxamide

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

S433-1153

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(c1c2)=O)=Cn1nc2C(N(CC1)CCC1NC(C1CCC1)=O)=O

InChI

InChI=1S/C18H23N5O3/c1-11-10-23-15(17(25)19-11)9-14(21-23)18(26)22-7-5-13(6-8-22)20-16(24)12-3-2-4-12/h9-10,12-13H,2-8H2,1H3,(H,19,25)(H,20,24)

InChI Key

DUUSWUGQUFANDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.563

Distribution Coefficient, logD

-1.181

Water Solubility, LogSw

-1.55

Polar Surface Area

78.898

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S433-1153 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 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

References: we are preparing a list of scientific research reports with S433-1153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-1153?
Check Price and Availability of S433-1153, 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 S433-1153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-1153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-1153
  • 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 S433-1153 available by request